Carbon tetrabromide

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Gas phase thermochemistry data

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas50.21kJ/molReviewChase, 1998Data last reviewed in December, 1963
Δfgas83.9 ± 3.4kJ/molCcbBickerton, Minas Da Piedade, et al., 1984ALS
Quantity Value Units Method Reference Comment
gas,1 bar358.00J/mol*KReviewChase, 1998Data last reviewed in December, 1963

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 6000.
A 105.1468
B 2.487623
C -0.670708
D 0.057056
E -1.342609
F 14.25271
G 476.9760
H 50.20800
ReferenceChase, 1998
Comment Data last reviewed in December, 1963

Gas phase ion energetics data

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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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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

Quantity Value Units Method Reference Comment
IE (evaluated)10.31 ± 0.02eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.0598SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable. G3MP2B3 calculations indicate an EA of ca. 1.4 eV.; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.3 ± 0.2EIKime, Driscoll, et al., 1987LBLHLM
10.8 ± 0.3EIKaposi, Riedel, et al., 1976LLK
10.31 ± 0.02PIWerner, Tsai, et al., 1974LLK
10.54PEDixon, Murrell, et al., 1971Vertical value; LLK
10.39PEPotts, Lempka, et al., 1970Vertical value; RDSH
10.40PEGreen, Green, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+14.5 ± 0.5?EIKaposi, Riedel, et al., 1976LLK
Br+18.1 ± 0.2?EIThorburn, 1965RDSH
Br2+17.2 ± 0.3?EIKaposi, Riedel, et al., 1976LLK
Br2+13.3 ± 0.1?EIDeCorpo and Franklin, 1971LLK
C+23.0 ± 0.5?EIKaposi, Riedel, et al., 1976LLK
C+23.1 ± 0.4?EIThorburn, 1965RDSH
CBr+19.3 ± 0.43BrEIKaposi, Riedel, et al., 1976LLK
CBr+17.5 ± 0.2?EIThorburn, 1965RDSH
CBr+16.35 ± 0.13?EIReed and Snedden, 1958RDSH
CBr2+14.5 ± 0.3?EIKaposi, Riedel, et al., 1976LLK
CBr2+14.6 ± 0.3?EIThorburn, 1965RDSH
CBr2+12.30 ± 0.08?EIReed and Snedden, 1958RDSH
CBr3+11.4 ± 0.3BrEIKaposi, Riedel, et al., 1976LLK
CBr3+10.47 ± 0.02BrPIWerner, Tsai, et al., 1974LLK
CBr3+11.3 ± 0.2BrEIThorburn, 1965RDSH
CBr3+9.95 ± 0.05BrEIReed and Snedden, 1958RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


UV/Visible spectrum

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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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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Source Dorr and Buttgereit, 1971
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. 19862
Instrument Zeiss PMQ II
Melting point 91.5-92

Vibrational and/or electronic energy levels

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

Data compiled by: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number σ = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 267  C  ia 267 p solid solid
e 2 Deg deform 122  C  ia 122 dp solid solid
f2 3 Deg str 672  C 672 VS liq. 671 dp solid solid
f2 4 Deg deform 182  C 182 dp solid solid

Source: Shimanouchi, 1972

Notes

VSVery strong
iaInactive
pPolarized
dpDepolarized
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Bickerton, Minas Da Piedade, et al., 1984
Bickerton, J.; Minas Da Piedade, M.E.; Pilcher, G., Enthalpy of formation of tetrabromomethane by rotating-bomb calorimetry, J. Chem. Thermodyn., 1984, 16, 661-668. [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A., The stability of the carbon tetrahalide ions, J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]

Kaposi, Riedel, et al., 1976
Kaposi, O.; Riedel, M.; Vass-Balthazar, K.; Sanchez, G.R.; Lelik, L., Mass-spectrometric determination of thermochemical data of CHBr3 and CBr4 by study of their electron impact and heterogeneous pyrolytic decompositions, Acta Chim. Acad. Sci. Hung., 1976, 89, 221. [all data]

Werner, Tsai, et al., 1974
Werner, A.S.; Tsai, B.P.; Baer, T., Photoionization study of the ionization potentials fragmentation paths of the chlorinated methanes carbon tetrabromide, J. Chem. Phys., 1974, 60, 3650. [all data]

Dixon, Murrell, et al., 1971
Dixon, R.N.; Murrell, J.N.; Narayan, B., The photoelectron spectra of the halomethanes, Mol. Phys., 1971, 20, 611. [all data]

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Green, Green, et al., 1970
Green, J.C.; Green, M.L.H.; Joachim, P.J.; Orchard, A.F.; Turner, D.W., A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy, Phil. Trans. Roy. Soc. (London), 1970, A268, III. [all data]

Thorburn, 1965
Thorburn, R., Ionization and dissociation by electron impact in carbon tetrabromide, Brit. J. Appl. Phys., 1965, 16, 1397. [all data]

DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L., Electron affinities of the halogen molecules by dissociative electron attachment, J. Chem. Phys., 1971, 54, 1885. [all data]

Reed and Snedden, 1958
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 2. The latent heat of sublimation of carbon, J. Chem. Soc. Faraday Trans., 1958, 54, 301. [all data]

Dorr and Buttgereit, 1971
Dorr, F.; Buttgereit, G., UV atlas of organic compounds, 1971, 5, I/1. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, References