Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Phenanthrene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas48.33 ± 0.55kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Deltafgas48.1 ± 1.1kcal/molCcbSteele, Chirico, et al., 1990«DELTA» Hfusion = 15.96±0.05 kJ/mol; ALS
Deltafgas49.5 ± 1.1kcal/molCcbColeman and Pilcher, 1966Author was aware that data differs from previously reported values; ALS
Deltafgas48.71kcal/molN/ABender and Farber, 1952Value computed using «DELTA»fHsolid° value of 113.0 kj/mol from Bender and Farber, 1952 and «DELTA»subH° value of 90.8 kj/mol from Bender and Farber, 1952.; DRB
Deltafgas39.10kcal/molN/ARichardson and Parks, 1939Value computed using «DELTA»fHsolid° value of 72.8±2.6 kj/mol from Richardson and Parks, 1939 and «DELTA»subH° value of 90.8 kj/mol from Richardson and Parks, 1939.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.88350.Dorofeeva O.V., 1988These functions are also reproduced in the reference book [ Frenkel M., 1994]. Recommended values of S(T) and Cp(T) agree with those calculated by [ Kudchadker S.A., 1979] within 1.3 J/mol*K.; GT
14.87100.
21.20150.
28.578200.
40.325273.15
44.37 ± 0.24298.15
44.673300.
59.852400.
72.514500.
82.636600.
90.729700.
97.290800.
102.69900.
107.181000.
110.971100.
114.171200.
116.901300.
119.231400.
121.251500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid26.31 ± 0.53kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Deltafsolid26.23 ± 0.38kcal/molCcbSteele, Chirico, et al., 1990«DELTA» Hfusion = 15.96±0.05 kJ/mol; ALS
Deltafsolid27.76 ± 0.34kcal/molCcbColeman and Pilcher, 1966Author was aware that data differs from previously reported values; ALS
Deltafsolid27.0kcal/molCcbBender and Farber, 1952ALS
Deltafsolid17.41 ± 0.62kcal/molCcbRichardson and Parks, 1939High level of uncertainty in the data; Reanalyzed by Cox and Pilcher, 1970, Original value = 16.94 kcal/mol; see Richardson, 1939; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1683. ± 8.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar51.401cal/mol*KN/AFinke, Messerly, et al., 1977DH
solid,1 bar50.60cal/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 65.19 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
52.65298.15Steele, Chirico, et al., 1990DH
52.729298.15Finke, Messerly, et al., 1977T = 10 to 440 K.; DH
63.91343.Rastogi and Bassi, 1964T = 343, 404 K.; DH
32.19298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
49.50298.1Eibert, 1944T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2003 + 0.00306t cal/g*K (20 to 98°C); Cp(liq) = 0.292 + 0.000923t cal/g*K (98 to 200°C).; DH
54.11298.1Schmidt, 1941T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2440 + 0.002604t - 0.000011t2 cal/g*K (20 to 98°C); Cp(liq) = 0.3328 + 0.0006760t cal/g*K (98 to 200°C).; DH
55.81297.5Huffman, Parks, et al., 1931T = 93 to 304 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil609.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil613.2KN/AWeast and Grasselli, 1989BS
Tboil605.15KN/AKirby, 1921Uncertainty assigned by TRC = 5. K; TRC
Tboil601.15KN/AKirby, 1921Uncertainty assigned by TRC = 3. K; TRC
Tboil613.15KN/ABeilstein, 1919Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus372. ± 2.KAVGN/AAverage of 32 out of 35 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple372.38KN/AFinke, Messerly, et al., 1977, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; C3 - C2 and C2 - C1 are second order transitions; TRC
Ttriple372.38KN/AOsborn and Douslin, 1975Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc869. ± 1.KN/ATsonopoulos and Ambrose, 1995 
Tc869.3KN/ACheng, 1963Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap18.8kcal/molCGCZhao, Unhannanant, et al., 2008AC
Deltavap18.9 ± 0.29kcal/molGCHaftka, Parsons, et al., 2006Based on data from 413. - 483. K.; AC
Deltavap18.8kcal/molCGCChickos, Hesse, et al., 1998AC
Deltavap18.8kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 403. - 453. K.; AC
Quantity Value Units Method Reference Comment
Deltasub21.7 ± 0.7kcal/molAVGN/AAverage of 12 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
485.70.016Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
20.851350.N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
17.3398.GCLei, Chankalal, et al., 2002Based on data from 323. - 473. K.; AC
17.0398.GCHinckley, Bidleman, et al., 1990Based on data from 343. - 453. K.; AC
13.9406.AStephenson and Malanowski, 1987Based on data from 391. - 613. K.; AC
16.6388.AStephenson and Malanowski, 1987Based on data from 373. - 423. K. See also Osborn and Douslin, 1975, 2.; AC
17.0372.N/AFinke, Messerly, et al., 1977AC
16.7390.N/AFinke, Messerly, et al., 1977AC
16.1420.N/AFinke, Messerly, et al., 1977AC
13.7548.IMortimer and Murphy, 1923Based on data from 476. - 620. K.; AC
14.6491.IMortimer and Murphy, 1923Based on data from 476. - 620. K. See also Boublik, Fried, et al., 1984.; AC
14.2560.INELSON and SENSEMAN, 1922Based on data from 505. - 614. K.; AC
14.6520.INELSON and SENSEMAN, 1922Based on data from 505. - 614. K. See also Boublik, Fried, et al., 1984.; AC

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
59.58350.Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
373. - 423.4.513512428.448-70.96Osborn and Douslin, 1975, 2Coefficents calculated by NIST from author's data.
476.8 - 619.94.68372673.32-40.7Mortimer and Murphy, 1923Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
21.726298.15N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
21.9 ± 0.1323.MERibeiro da Silva, Monte, et al., 2006Based on data from 313. - 333. K.; AC
22.7 ± 1.1318.MEOja and Suuberg, 1998Based on data from 303. - 333. K.; AC
21.2383.GSNass, Lenoir, et al., 1995Based on data from 313. - 453. K.; AC
20.8 ± 0.26350.DSCTorres-Gomez, Barreiro-Rodriguez, et al., 1988AC
23.0335.GSSATO, INOMATA, et al., 1986Based on data from 323. - 348. K.; AC
20. ± 0.5340.TEFerro, Imperatori, et al., 1983Based on data from 317. - 362. K.; AC
22.7 ± 0.1303.GSSonnefeld, Zoller, et al., 1983Based on data from 283. - 323. K.; AC
20.8345.GSMacknick and Prausnitz, 1979Based on data from 325. - 364. K.; AC
20.8372.BOsborn and Douslin, 1975, 2AC
20.1 ± 0.60297.TEBudurov, 1960Based on data from 279. - 315. K.; AC
22.9303.N/AHoyer and Peperle, 1958Based on data from 273. - 333. K. See also Cox and Pilcher, 1970, 2.; AC
22.90 ± 0.70213.VHoyer and Peperle, 1958, 2Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 22.2 kcal/mol; ALS
20.7310. - 323.N/ABradley and Cleasby, 1953See also Cox and Pilcher, 1970, 2.; AC
20.700309.7VBradley and Cleasby, 1953, 2ALS
21.7 ± 0.29315.MEInokuchi, Shiba, et al., 1952AC
19.5323.MEInokuchi, 1951AC
20.1293.VMagnus, Hartmann, et al., 1951ALS
20.1 ± 0.2313.N/AWolf and Weghofer, 1938AC
20.1 ± 0.2323.VWolf and Weghofer, 1938, 2ALS

Entropy of sublimation

DeltasubS (cal/mol*K) Temperature (K) Reference Comment
72.87298.15Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
3.7572373.81N/ASabbah and El Watik, 1992DH
4.4520(373.)N/ARai, Singh, et al., 1987DH
4.3021373.2N/ARastogi and Bassi, 1964DH
3.97367.6DSCRojas and Orozco, 2003Based on data from 353. - 383. K.; AC
3.87372.9DSCLisicki and Jamróz, 2000AC
3.934372.4N/ADomalski and Hearing, 1996AC
4.0989371.4N/AEibert, 1944DH
4.0961371.7N/ASchmidt, 1941DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
11.9(373.)Rai, Singh, et al., 1987DH
11.5373.2Rastogi and Bassi, 1964DH
11.0371.4Eibert, 1944DH
11.0371.7Schmidt, 1941DH

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
~270.crystaline, IIIcrystaline, IIFinke, Messerly, et al., 1977Second-order glass-type transition.; DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.2390332.2crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
0.0521347.5crystaline, IIcrystaline, IFinke, Messerly, et al., 1977Lambda transition.; DH
3.93470372.38crystaline, IliquidFinke, Messerly, et al., 1977DH
0.6214342.crystaline, IIcrystaline, IUeberreiter and Orthmann, 1950DH
4.4503373.crystaline, IliquidUeberreiter and Orthmann, 1950DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.72332.2crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
0.15347.5crystaline, IIcrystaline, IFinke, Messerly, et al., 1977Lambda; DH
10.57372.38crystaline, IliquidFinke, Messerly, et al., 1977DH
1.8342.crystaline, IIcrystaline, IUeberreiter and Orthmann, 1950DH
11.9373.crystaline, IliquidUeberreiter and Orthmann, 1950DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C14H10+ + Phenanthrene = (C14H10+ bullet Phenanthrene)

By formula: C14H10+ + C14H10 = (C14H10+ bullet C14H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.8kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.8320.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C14H11+ + Phenanthrene = (C14H11+ bullet Phenanthrene)

By formula: C14H11+ + C14H10 = (C14H11+ bullet C14H10)

Quantity Value Units Method Reference Comment
Deltar15.7kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.7320.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

7Hydrogen + Phenanthrene = Phenanthrene, tetradecahydro-

By formula: 7H2 + C14H10 = C14H24

Quantity Value Units Method Reference Comment
Deltar-135.kcal/molEqkFrye, 1962gas phase; ALS

2Hydrogen + Phenanthrene = Phenanthrene, 1,2,3,4-tetrahydro-

By formula: 2H2 + C14H10 = C14H14

Quantity Value Units Method Reference Comment
Deltar-30.kcal/molEqkFrye, 1962gas phase; ALS

4Hydrogen + Phenanthrene = Phenanthrene, 1,2,3,4,5,6,7,8-octahydro-

By formula: 4H2 + C14H10 = C14H18

Quantity Value Units Method Reference Comment
Deltar-60.kcal/molEqkFrye, 1962gas phase; ALS

Hydrogen + Phenanthrene = Phenanthrene, 9,10-dihydro-

By formula: H2 + C14H10 = C14H12

Quantity Value Units Method Reference Comment
Deltar-12.kcal/molEqkFrye, 1962gas phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
28. XN/A
9.44700.XN/A
25. LN/A
28. MN/A
25. MMackay, Shiu, et al., 1979
39. VN/A

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C14H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)7.891 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)197.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity190.0kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
-0.01 ± 0.040LPESTschurl, Boesl, et al., 2006Extrapolated from EAs of (H2O)n..phenanthrene-.; B
<0.269 ± 0.035ECDWojnarovits and Foldiak, 1981EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.05 eV, unbound anion; B
0.3070 ± 0.0070ECDBecker and Chen, 1966B
0.2ECDWentworth and Becker, 1962B

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
196.0Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
189.7Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV) Method Reference Comment
7.903PEThantu and Weber, 1993LL
7.87 ± 0.02TRPIGotkis, Oleinikova, et al., 1993LL
7.8914 ± 0.0006LSHager and Wallace, 1988LL
7.89 ± 0.05EQMautner(Meot-Ner), 1980LLK
7.86PEClar and Schmidt, 1979LLK
7.92 ± 0.05PEEland, 1972LLK
7.86 ± 0.01PEBoschi, Murrell, et al., 1972LLK
7.92PERowland, 1971Unpublished result of J.H.D. Eland; LLK
7.91 ± 0.01PEDewar, Haselbach, et al., 1970RDSH
8.08CTSMukherjee, 1969RDSH
7.69SKitagawa, 1968RDSH
7.75PIKitagawa, 1968RDSH
8.03 ± 0.01EINounou, 1966RDSH
8.10 ± 0.04EINatalis and Franklin, 1965RDSH
8.03 ± 0.01EIBonnier, Gelus, et al., 1965RDSH
8.07CTSKuroda, 1964RDSH
7.6CTSBriegleb, 1964RDSH
8.22CTSKinoshita, 1962RDSH
8.25CTSBriegleb, Czekalla, et al., 1961RDSH
8.09CTSBirks and Stifkin, 1961RDSH
8.03EIWacks and Dibeler, 1959RDSH
23.1EIWacks and Dibeler, 1959RDSH
8.03CTSBriegleb and Czekalla, 1959RDSH
8.02CTSMatsen, 1956RDSH
7.91PEAkiyama, Li, et al., 1979Vertical value; LLK
7.85PERuscic, Kovac, et al., 1978Vertical value; LLK
7.86 ± 0.02PESchmidt, 1977Vertical value; LLK
7.86PEClar and Schmidt, 1976Vertical value; LLK
7.87 ± 0.02PEHush, Cheung, et al., 1975Vertical value; LLK
7.92 ± 0.02PEMaier and Turner, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4+29. ± 1.?EINounou, 1968RDSH
C9H7+23.9 ± 0.2?EINounou, 1968RDSH
C10H6+20.8 ± 0.32C2H2EINounou, 1968RDSH
C10H6+20.9 ± 0.32C2H2EINatalis and Franklin, 1965RDSH
C11H7+21.1 ± 0.2?EINounou, 1968RDSH
C11H7+21.1 ± 0.3?EINatalis and Franklin, 1965RDSH
C12H7+18.8 ± 0.1?EINounou, 1968RDSH
C12H7+19.63 ± 0.05?EINatalis and Franklin, 1965RDSH
C12H8+11.23C2H2EVALGotkis, Oleinikova, et al., 1993T = 0K; LL
C12H8+14.46C2H2TRPIGotkis, Oleinikova, et al., 1993LL
C12H8+15.7 ± 0.2?EINounou, 1968RDSH
C12H8+16.63 ± 0.05?EINatalis and Franklin, 1965RDSH
C13H7+20.0 ± 0.3?EINounou, 1968RDSH
C14H7+18.2 ± 0.2H2+HEINounou, 1968RDSH
C14H8+16.2 ± 0.2H2EINounou, 1968RDSH
C14H8+18.6 ± 0.1H2EINatalis and Franklin, 1965RDSH
C14H9+11.99HEVALGotkis, Oleinikova, et al., 1993T = 0K; LL
C14H9+14.88HTRPIGotkis, Oleinikova, et al., 1993LL
C14H9+15.5 ± 0.1HEINounou, 1968RDSH
C14H9+16.3 ± 0.1HEINatalis and Franklin, 1965RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C14H10+ + Phenanthrene = (C14H10+ bullet Phenanthrene)

By formula: C14H10+ + C14H10 = (C14H10+ bullet C14H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.8kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.8320.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

C14H11+ + Phenanthrene = (C14H11+ bullet Phenanthrene)

By formula: C14H11+ + C14H10 = (C14H11+ bullet C14H10)

Quantity Value Units Method Reference Comment
Deltar15.7kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.7320.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 113931

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source Ramart-Lucas, Matti, et al., 1948
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 669
Instrument n.i.g.
Melting point 99.2
Boiling point 340

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Steele, Chirico, et al., 1990
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., Determination of ideal-gas enthalpies of formation for key compounds, Am. Inst. Chem. Eng. Symp. Ser. (AIChE Symp. Ser.), 1990, 138-154. [all data]

Coleman and Pilcher, 1966
Coleman, D.J.; Pilcher, G., Heats of combustion of biphenyl, bibenzyl, naphthalene, anthracene, and phenanthrene, Trans. Faraday Soc., 1966, 62, 821-827. [all data]

Bender and Farber, 1952
Bender, P.; Farber, J., The heats of combustion of anthracene transannular peroxide and dianthracene, J. Am. Chem. Soc., 1952, 74, 1450-1452. [all data]

Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S., Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen, J. Am. Chem. Soc., 1939, 61, 3543-3546. [all data]

Dorofeeva O.V., 1988
Dorofeeva O.V., Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Kudchadker S.A., 1979
Kudchadker S.A., Chemical thermodynamic properties of anthracene and phenathrene, J. Chem. Thermodyn., 1979, 11, 1051-1059. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Richardson, 1939
Richardson, J.W., Precise determination of the heats of combustion of some representative organic compounds, Ph.D. Thesis for Standford University, 1939, 1-122. [all data]

Finke, Messerly, et al., 1977
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937-956. [all data]

Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M., Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons, J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]

Rastogi and Bassi, 1964
Rastogi, R.P.; Bassi, P.S., Mechanism of eutectic crystallization, J. Phys. Chem., 1964, 68, 2398-2406. [all data]

Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J., Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme, Z. Natursforsch. 5a, 1950, 101-108. [all data]

Eibert, 1944
Eibert, J., Thesis Washington University (St. Louis), 1944. [all data]

Schmidt, 1941
Schmidt, W.R., Thesis Washington University (St. Louis), 1941. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Kirby, 1921
Kirby, W., Determination of the Melting and Boiling Points of Anthracene, Phenanthrene and Carbazole, J. Soc. Chem. Ind., London, Trans. Commun., 1921, 40, 274T. [all data]

Beilstein, 1919
Beilstein, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1919, 93, 641. [all data]

Finke, Messerly, et al., 1977, 2
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937. [all data]

Osborn and Douslin, 1975
Osborn, A.G.; Douslin, D.R., Vapor Pressure and Derived Enthalpies of Vaporization for Some Condensed Ring Hydrocarbons, J. Chem. Eng. Data, 1975, 20, 229-31. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Cheng, 1963
Cheng, D.C.H., Critical temperatures and volumes of some binary systems, Chem. Eng. Sci., 1963, 18, 715. [all data]

Zhao, Unhannanant, et al., 2008
Zhao, Hui; Unhannanant, Patamaporn; Hanshaw, William; Chickos, James S., Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects, J. Chem. Eng. Data, 2008, 53, 7, 1545-1556, https://doi.org/10.1021/je800091s . [all data]

Haftka, Parsons, et al., 2006
Haftka, Joris J.H.; Parsons, John R.; Govers, Harrie A.J., Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography, Journal of Chromatography A, 2006, 1135, 1, 91-100, https://doi.org/10.1016/j.chroma.2006.09.050 . [all data]

Chickos, Hesse, et al., 1998
Chickos, James; Hesse, Donald; Hosseini, Sarah; Nichols, Gary; Webb, Paul, Sublimation enthalpies at 298.15K using correlation gas chromatography and differential scanning calorimetry measurements, Thermochimica Acta, 1998, 313, 2, 101-110, https://doi.org/10.1016/S0040-6031(97)00432-2 . [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Torres-Gomez, Barreiro-Rodriguez, et al., 1988
Torres-Gomez, L.A.; Barreiro-Rodriguez, G.; Galarza-Mondragon, A., A new method for the measurement of enthalpies of sublimation using differential scanning calorimetry, Thermochim. Acta, 1988, 124, 229-233. [all data]

Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank, Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons, J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148 . [all data]

Hinckley, Bidleman, et al., 1990
Hinckley, Daniel A.; Bidleman, Terry F.; Foreman, William T.; Tuschall, Jack R., Determination of vapor pressures for nonpolar and semipolar organic compounds from gas chromatograhic retention data, J. Chem. Eng. Data, 1990, 35, 3, 232-237, https://doi.org/10.1021/je00061a003 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Osborn and Douslin, 1975, 2
Osborn, Ann G.; Douslin, Donald R., Vapor pressures and derived enthalpies of vaporization for some condensed-ring hydrocarbons, J. Chem. Eng. Data, 1975, 20, 3, 229-231, https://doi.org/10.1021/je60066a022 . [all data]

Mortimer and Murphy, 1923
Mortimer, F. Spencer.; Murphy, Ray v., The Vapor Pressures of Some Substances Found in Coal Tar., Ind. Eng. Chem., 1923, 15, 11, 1140-1142, https://doi.org/10.1021/ie50167a012 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

NELSON and SENSEMAN, 1922
NELSON, O.A.; SENSEMAN, C.E., Vapor Pressure Determinations on Naphthalene, Anthracene, Phecanthrene, and Anthraquinone between Their Melting and Boiling Points, J. Ind. Eng. Chem., 1922, 14, 1, 58-62, https://doi.org/10.1021/ie50145a028 . [all data]

Ribeiro da Silva, Monte, et al., 2006
Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Santos, Luís M.N.B.F., The design, construction, and testing of a new Knudsen effusion apparatus, The Journal of Chemical Thermodynamics, 2006, 38, 6, 778-787, https://doi.org/10.1016/j.jct.2005.08.013 . [all data]

Oja and Suuberg, 1998
Oja, Vahur; Suuberg, Eric M., Vapor Pressures and Enthalpies of Sublimation of Polycyclic Aromatic Hydrocarbons and Their Derivatives, J. Chem. Eng. Data, 1998, 43, 3, 486-492, https://doi.org/10.1021/je970222l . [all data]

Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius, Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure, Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351 . [all data]

SATO, INOMATA, et al., 1986
SATO, NOBUYUKI; INOMATA, HIROSHI; ARAI, KUNIO; SAITO, SHOZABURO, Measurement of vapor pressures for coal-related aromatic compounds by gas saturation method., J. Chem. Eng. Japan / JCEJ, 1986, 19, 2, 145-147, https://doi.org/10.1252/jcej.19.145 . [all data]

Ferro, Imperatori, et al., 1983
Ferro, Daniela; Imperatori, Patrizia; Quagliata, Claudio, Study of the stability of the phenanthrene- and 1,2-benzanthracene-choleic acids by vapor pressure measurements, J. Chem. Eng. Data, 1983, 28, 2, 242-244, https://doi.org/10.1021/je00032a031 . [all data]

Sonnefeld, Zoller, et al., 1983
Sonnefeld, W.J.; Zoller, W.H.; May, W.E., Dynamic coupled-column liquid-chromatographic determination of ambient-temperature vapor pressures of polynuclear aromatic hydrocarbons, Anal. Chem., 1983, 55, 2, 275-280, https://doi.org/10.1021/ac00253a022 . [all data]

Macknick and Prausnitz, 1979
Macknick, A. Brian; Prausnitz, John M., Vapor pressures of high-molecular-weight hydrocarbons, J. Chem. Eng. Data, 1979, 24, 3, 175-178, https://doi.org/10.1021/je60082a012 . [all data]

Budurov, 1960
Budurov, S., Izv. Khim. Inst. Bulg. Akad. Nauk, 1960, 7, 281. [all data]

Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W., Z. Elektrochem., 1958, 62, 61. [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Hoyer and Peperle, 1958, 2
Hoyer, H.; Peperle, W., Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen, Z. Electrochem., 1958, 62, 61-66. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Bradley and Cleasby, 1953
Bradley, R.S.; Cleasby, T.G., 346. The vapour pressure and lattice energy of hydrogen-bonded crystals. Part I. Oxamide, oxamic acid, and rubeanic acid, J. Chem. Soc., 1953, 1681, https://doi.org/10.1039/jr9530001681 . [all data]

Bradley and Cleasby, 1953, 2
Bradley, R.S.; Cleasby, T.G., The vapour pressure and lattice energy of some aromatic ring compounds, J. Am. Chem. Soc., 1953, 1690-16. [all data]

Inokuchi, Shiba, et al., 1952
Inokuchi, Hiroo; Shiba, Sukekuni; Handa, Takashi; Akamatu, Hideo, Heats of Sublimation of Condensed Polynuclear Aromatic Hydrocarbons, Bull. Chem. Soc. Jpn., 1952, 25, 5, 299-302, https://doi.org/10.1246/bcsj.25.299 . [all data]

Inokuchi, 1951
Inokuchi, H., J. Chem. Soc. Jpn. Pure Chem. Sect., 1951, 72, 552. [all data]

Magnus, Hartmann, et al., 1951
Magnus, A.; Hartmann, H.; Becker, F., Verbrennungswarmen und resonanzenergien von mehrkernigen aromatischen kohlenwasserstoffen, Z. Phys. Chem., 1951, 197, 75-91. [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H.Z., Z. Phys. Chem. Abt. B, 1938, 39, 194. [all data]

Wolf and Weghofer, 1938, 2
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L., New reference materials for the calibration (temperature and energy) of differential thermal analysers and scanning calorimeters, J. Therm. Anal., 1992, 38(4), 855-863. [all data]

Rai, Singh, et al., 1987
Rai, U.S.; Singh, O.P.; Singh, N.B., Some thermodynamic aspects of organic eutectics, succinonitrile-phenanthrene system, Indian J. Chem., 1987, 26A, 947-949. [all data]

Rojas and Orozco, 2003
Rojas, Aarón; Orozco, Eulogio, Measurement of the enthalpies of vaporization and sublimation of solids aromatic hydrocarbons by differential scanning calorimetry, Thermochimica Acta, 2003, 405, 1, 93-107, https://doi.org/10.1016/S0040-6031(03)00139-4 . [all data]

Lisicki and Jamróz, 2000
Lisicki, Zygmunt; Jamróz, Malgorzata E., (Solid + liquid) equilibria in (polynuclear aromatic+ tertiary amide) systems, The Journal of Chemical Thermodynamics, 2000, 32, 10, 1335-1353, https://doi.org/10.1006/jcht.2000.0685 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A., Microcalorimetric investigation of polymorphic transitions in organic crystals, Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]

Meot-Ner (Mautner), 1980
Meot-Ner (Mautner), M., Dimer Cations of Polycyclic Aromatics: Experimental Bonding Energies and Resonance Stabilization, J. Phys. Chem., 1980, 84, 21, 2724, https://doi.org/10.1021/j100458a012 . [all data]

Frye, 1962
Frye, C.G., Equilibria in the hydrogenation of polycyclic aromatics, J. Chem. Eng. Data, 1962, 7, 592-595. [all data]

Mackay, Shiu, et al., 1979
Mackay, D.; Shiu, W.-Y.; Sutherland, R.P., Determination of Air-Water Henry's Law Constants for Hydrophobic Pollutants, Environ. Sci. Technol., 1979, 13, 333-337. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Tschurl, Boesl, et al., 2006
Tschurl, M.; Boesl, U.; Gilb, S., The electron affinity of phenanthrene, J. Chem. Phys., 2006, 125, 19, 194310, https://doi.org/10.1063/1.2387175 . [all data]

Wojnarovits and Foldiak, 1981
Wojnarovits, L.; Foldiak, G., Electron capture detection of aromatic hydrocarbons, J. Chromatogr. Sci., 1981, 206, 511. [all data]

Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E., Experimental Determination of Electron Affinities of Organic Molecules, Mol. Cryst. Liq. Cryst., 1989, 171, 271. [all data]

Becker and Chen, 1966
Becker, R.S.; Chen, E., Extension of Electron Affinities and Ionization Potentials of Aromatic Hydrocarbons, J. Chem. Phys., 1966, 45, 7, 2403, https://doi.org/10.1063/1.1727954 . [all data]

Wentworth and Becker, 1962
Wentworth, W.E.; Becker, R.S., Potential Method for the Determination of Electron Affinities of Molecules: Application to Some Aromatic Hydrocarbons., J. Am. Chem. Soc., 1962, 84, 22, 4263, https://doi.org/10.1021/ja00881a014 . [all data]

Aue, Guidoni, et al., 2000
Aue, D.H.; Guidoni, M.; Betowski, L.D., Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons, Int. J. Mass Spectrom., 2000, 201, 283. [all data]

Thantu and Weber, 1993
Thantu, N.; Weber, P.M., Dependence of two-photon ionization photoelectron spectra on laser coherence band width, Chem. Phys. Lett., 1993, 214, 276. [all data]

Gotkis, Oleinikova, et al., 1993
Gotkis, Y.; Oleinikova, M.; Naor, M.; Lifshitz, C., Time-independent mass spectra and breakdown graphs. 17. Naphthalene and phenanthrene, J. Phys. Chem., 1993, 97, 12282. [all data]

Hager and Wallace, 1988
Hager, J.W.; Wallace, S.C., Two-laser photoionization supersonic jet mass spectrometry of aromatic molecules, Anal. Chem., 1988, 60, 5. [all data]

Mautner(Meot-Ner), 1980
Mautner(Meot-Ner), M., Ion thermochemistry of low volatility compounds in the gas phase. 3. Polycyclic aromatics: Ionization energies, proton, and hydrogen affinities. Extrapolations to graphite, J. Phys. Chem., 1980, 84, 2716. [all data]

Clar and Schmidt, 1979
Clar, E.; Schmidt, W., Correlations between photoelectron and UV absorption spectra of polycyclic hydrocarbons. The pyrene series, Tetrahedron, 1979, 35, 1027. [all data]

Eland, 1972
Eland, J.H.D., Photoelectron spectra and ionization potentials of aromatic hydrocarbons, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 214. [all data]

Boschi, Murrell, et al., 1972
Boschi, R.; Murrell, J.N.; Schmidt, W., Photoelectron spectra of polycyclic aromatic hydrocarbons, Faraday Discuss. Chem. Soc., 1972, 54, 116. [all data]

Rowland, 1971
Rowland, C.G., Kinetic energy distributions of C12H8 fragment ions in the mass spectra of anthracene, phenanthrene and diphenylacetylene, Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 79. [all data]

Dewar, Haselbach, et al., 1970
Dewar, M.J.S.; Haselbach, E.; Worley, S.D., Calculated and observed ionization potentials of unsaturated polycyclic hydrocarbons; calculated heats of formation by several semiempirical s.c.f. m.o. methods, Proc. Roy. Soc. (London), 1970, A315, 431. [all data]

Mukherjee, 1969
Mukherjee, T.K., Charge-transfer donor abilities of o,o'bridged biphenyls, J. Phys. Chem., 1969, 73, 3442. [all data]

Kitagawa, 1968
Kitagawa, T., Absorption spectra and photoionization of polycyclic aromatics in vacuum ultraviolet region, J. Mol. Spectry., 1968, 26, 1. [all data]

Nounou, 1966
Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [all data]

Natalis and Franklin, 1965
Natalis, P.; Franklin, J.L., Ionization and dissociation of diphenyl and condensed ring aromatics by electron impact. I. Biphenyl, diphenylacetylene, and phenanthrene, J. Phys. Chem., 1965, 69, 2935. [all data]

Bonnier, Gelus, et al., 1965
Bonnier, J.-M.; Gelus, M.; Nounou, P., Contribution a l'etude de l'effet inductif et de l'effet d'hyperconjugaison dans quelques methylaromatiques, J. Chim. Phys., 1965, 10, 1191. [all data]

Kuroda, 1964
Kuroda, H., Ionization potentials of polycyclic aromatic hydrocarbons, Nature, 1964, 201, 1214. [all data]

Briegleb, 1964
Briegleb, G., Electron affinity of organic molecules, Angew. Chem. Intern. Ed., 1964, 3, 617. [all data]

Kinoshita, 1962
Kinoshita, M., The absorption spectra of the molecular complexes of aromatic compounds with p-bromanil, Bull. Chem. Soc. Japan, 1962, 35, 1609. [all data]

Briegleb, Czekalla, et al., 1961
Briegleb, G.; Czekalla, J.; Reuss, G., Mesomeriemomente und Elektronenuberfuhrungsbanden von Elektronen-donator-akzeptor-komplexen des Chloranils und Tetracyanathylens mit aromatischen Kohlenwasserstoffen, Z. Phys. Chem. (Neue Folge), 1961, 30, 333. [all data]

Birks and Stifkin, 1961
Birks, J.B.; Stifkin, M.A., «pi»-Electronic excitation and ionization energies of condensed ring aromatic hydrocarbons, Nature, 1961, 191, 761. [all data]

Wacks and Dibeler, 1959
Wacks, M.E.; Dibeler, V.H., Electron impact studies of aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, and phenanthrene, J. Chem. Phys., 1959, 31, 1557. [all data]

Briegleb and Czekalla, 1959
Briegleb, G.; Czekalla, J., Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen, Z.Elektrochem., 1959, 63, 6. [all data]

Matsen, 1956
Matsen, F.A., Electron affinities, methyl affinities, and ionization energies of condensed ring aromatic hydrocarbons, J. Chem. Phys., 1956, 24, 602. [all data]

Akiyama, Li, et al., 1979
Akiyama, I.; Li, K.C.; LeBreton, P.R.; Fu, P.P.; Harvey, R.G., Ultraviolet photoelectron studies of polycyclic aromatic hydrocarbons. The ground-state electronic structure of aryloxiranes and metabolites of benzo[a]pyrene, J. Phys. Chem., 1979, 83, 2997. [all data]

Ruscic, Kovac, et al., 1978
Ruscic, B.; Kovac, B.; Klasinc, L.; Gusten, H., Photoelectron spectroscopy of J. Heterocycl. Chem.. Fluorene analogues, Z. Naturforsch. A:, 1978, 33, 1006. [all data]

Schmidt, 1977
Schmidt, W., Photoelectron spectra of polynuclear aromatics. V. Correlations with ultraviolet absorption spectra in the catacondensed series, J. Chem. Phys., 1977, 66, 828. [all data]

Clar and Schmidt, 1976
Clar, E.; Schmidt, W., Correlations between photoelectron and phosphorescence spectra of polycyclic hydrocarbons, Tetrahedron, 1976, 32, 2563. [all data]

Hush, Cheung, et al., 1975
Hush, N.S.; Cheung, A.S.; Hilton, P.R., Binding energies of «pi»- and "lone pair"-levels in mono- and diaza-phenanthrenes and anthracenes: an He(I) photoelectron spectroscopic study, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 385. [all data]

Maier and Turner, 1972
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part I. Biphenyls, Faraday Discuss. Chem. Soc., 1972, 54, 149. [all data]

Nounou, 1968
Nounou, P., Application of the quasi-equilibrium theory of, mass spectra to large aromatic molecules, Advan. Mass Spectrom., 1968, 4, 551. [all data]

Ramart-Lucas, Matti, et al., 1948
Ramart-Lucas, M.; Matti, M.J.; Guilmart, T., Structure, absorption et comportement chimique dans la serie du phenanthrene, Bull. Soc. Chim. Fr., 1948, 15, 1215-1225. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References