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Hydrochloric acid-d

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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.

Quantity Value Units Method Reference Comment
Deltafgas-22.31kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar46.066cal/mol*KReviewChase, 1998Data last reviewed in June, 1977

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1300.1300. - 6000.
A 6.0644708.513970
B 1.6396910.307687
C 0.896536-0.041890
D -0.6340160.002762
E 0.031941-0.863706
F -24.09039-26.60631
G 53.0626054.21260
H -22.31000-22.31000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1977 Data last reviewed in June, 1977

Phase change 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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director

Quantity Value Units Method Reference Comment
Ptriple0.12346atmN/AHenderson, Lewis, et al., 1986Uncertainty assigned by TRC = 0.00007 atm
Ptriple0.12366atmN/AHenderson, Lewis, et al., 1986Uncertainty assigned by TRC = 0.00007 atm
Ptriple0.12356atmN/AHenderson, Lewis, et al., 1986Uncertainty assigned by TRC = 0.00005 atm; estimated for pure DCl, based on amount of H in samples
Quantity Value Units Method Reference Comment
Tc323.5KN/AHenderson, Lewis, et al., 1986Uncertainty assigned by TRC = 0.32 K
Quantity Value Units Method Reference Comment
Pc79.15atmN/AHenderson, Lewis, et al., 1986Uncertainty assigned by TRC = 0.0791 atm; Vapor Pressure measured up to 226 K and Pc determined from fitted Wagner equation

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

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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: 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. 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

Chlorine anion + Hydrochloric acid-d = (Chlorine anion bullet Hydrochloric acid-d)

By formula: Cl- + DCl = (Cl- bullet DCl)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
16.8300.ICRLarson and McMahon, 1987gas phase; switching reaction(Cl-)HCl; Caldwell and Kebarle, 1985

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 compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
12.756 ± 0.005PEWeiss, Lawrence, et al., 1970RDSH

Ion clustering 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 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

Chlorine anion + Hydrochloric acid-d = (Chlorine anion bullet Hydrochloric acid-d)

By formula: Cl- + DCl = (Cl- bullet DCl)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
16.8300.ICRLarson and McMahon, 1987gas phase; switching reaction(Cl-)HCl; Caldwell and Kebarle, 1985

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through December, 1976

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for D35Cl
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Numerous absorption bands above 123000 cm-1; see HCl.
M (1Sigma+) (117670) [1220] 1         M larrow X 117214
Terwilliger and Smith, 1973
L (1Sigma+.1Pi) 111268 1126 37 1        L larrow X 110748
Terwilliger and Smith, 1973
K 1Pi (89945) [1858.8] Z   [4.9306] 2     [1.3399] K larrow X R 89708.9 Z
Douglas and Greening, 1979
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
H 1Sigma+ (88944) [1631.8] Z   [4.6578]   [0.147E-4]  [1.3786] H larrow X R 88694.0 Z
Douglas and Greening, 1979
E 1Sigma+ (84417) [1186.9] Z   [3.2960]   [-2.48E-4]  [1.6388] E larrow X R 83944.9 Z
Douglas and Greening, 1979
f1 3Delta1 [83626.2]    [5.210]   [0.96E-4]  [1.303] f1 larrow X R 82560.4 Z
Tilford and Ginter, 1971
D 1Pi (82632) [1918.8] Z   5.142 3 0.152  [2.0E-4] 3  1.312 D larrow X R 82525.9 Z
Tilford and Ginter, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
d0 3Pi0 [83350.3]    [5.016]   [1.35E-4]  [1.328] d0 larrow X R 82284.5 Z
Tilford and Ginter, 1971
f2 3Delta2 [83140.0]    [5.328]   [3.9E-4]  [1.289] f2 larrow X R 82074.2 Z
Tilford and Ginter, 1971
d1 3Pi1 [82855.0]    [5.137] 4   [1.9E-4] 4  [1.313] d1 larrow X R 81789.2 Z
Tilford and Ginter, 1971
d2 3Pi2 [82695.6]    [4.747] 5   [-7E-4] 5  [1.366] d2 larrow X R 81629.8 Z
Tilford and Ginter, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 1Pi 77558.5 2027.1 Z 34.98 6 0.39 4.962 7 0.120  [1.16E-4]  1.336 C larrow X R 77497.6 Z
Stamper, 1962; missing citation
b0 3Pi0 [76548.0]    [5.218]     [1.302] b0 larrow X R 75482.2 Z
missing citation
b1 3Pi1 75199.3 2015.4 Z 29.1  5.100 0.129 8  [3.5E-4]  1.309 b1 larrow X R 75133.9 Z
Stamper, 1962; missing citation
b2 3Pi2 [75912.7]    4.905     [1.343] b2 larrow X R 74846.9 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 1Sigma+ 0 2145.163 Z 27.1825 9 0.08649 5.448794 10 0.113291 9 0.0004589 1.39E-4 11  1.274581 12  
Pickworth and Thompson, 1953; Van Horne and Hause, 1956; Mould, Price, et al., 1960
Rotation sp. 13
Hansler and Oetjen, 1953; Cowan and Gordy, 1958; De Lucia, Helminger, et al., 1971; Rosenberg, Lightman, et al., 1972
Mol. beam el. reson. 14
Kaiser, 1970

Notes

1v=0...8 observed. See HCl.
2Average B value; B(R,P) - B(Q) = +0.1028.
3Average B, D values: B(Pi+) - B(Pi-) = +0.022 in v=0 and -0.006 in v=1.
4Average B,D values; B(Pi+) - B(Pi-) = -0.022.
5Average B,D values; B(Pi+) - B(Pi-) = -0.054.
6missing note
7B0(Pi+) - B0(Pi-) = +0.0034 Stamper, 1962. Lines are slightly diffuse but much sharper than in the corresponding HCl bands.
8v=1 and 2 are increasingly diffuse.
9weze = -0.00355 Rank, Eastman, et al., 1962, deltae(Y31) = -0.00002103 Rank, Eastman, et al., 1962 from HCl by isotope relations Rank, Eastman, et al., 1962. Constants for D37Cl in Pickworth and Thompson, 1953, Van Horne and Hause, 1956, Cowan and Gordy, 1958, Mould, Price, et al., 1960, Webb and Rao, 1968.
10The rotational constants, derived from infrared data Rank, Eastman, et al., 1962, agree with the more recent microwave data of De Lucia, Helminger, et al., 1971.
11He = 2.31E-9 Mould, Price, et al., 1960.
12Rot.-vibr. Bands 18 19 13
13Pressure broadening in the 1-0 band (both self-broadening and broadening by foreign gases) Crane-Robinson and Thompson, 1963, James and Thibault, 1964, in the rotation spectrum Rosenberg, Lightman, et al., 1972; pressure shifts Jaffe, Hirshfeld, et al., 1964.
14muel(v=0) = 1.1033 D, muel(v=1) = 1.1256 D Kaiser, 1970. Dipole moment function Kaiser, 1970, Smith, 1973; see also Kaiser, 1974. Quadrupole and other hyperfine coupling constants Kaiser, 1970; see also Tokuhiro, 1967.
15From D00(HCl).
16From the photoelectron spectrum Weiss, Lawrence, et al., 1970; via the A 2Sigma+ state of DCl+ one finds 12.732 eV.
17B(Pi+) - B(Pi-) = +0.010 Stamper, 1962.
181-0, 2-0, 3-0 bands in absorption Pickworth and Thompson, 1953, Van Horne and Hause, 1956, Rank, Eastman, et al., 1962, Deltav=1 sequence in emission Mould, Price, et al., 1960; P(7),P(8), P(9) lines of the 2-1 band observed in D2-Cl2 explosion laser Corneil and Pimentel, 1968. IR absorption in solid argon and other low-temperature matrices, hindered rotation Davies and Hallam, 1971.
19Absolute intensities [cm-2atm-1) of the 1-0 band 66.6 Benedict, Herman, et al., 1956 2-0 band 1.06 Benedict, Herman, et al., 1956 3-0 band 0.0059 Benedict, Herman, et al., 1956

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, 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]

Henderson, Lewis, et al., 1986
Henderson, C.; Lewis, D.G.; Prichard, P.C.; Staveley, L.A.K.; Fonseca, I.M.A.; Lobo, L.Q., Some thermodynamic properties of hydrogen chloride and deuterium chloride, J. Chem. Thermodyn., 1986, 18, 1077. [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Isotope Effects in Proton Transfer Reactions. An Ion Cyclotron Resonance Determination of the Equilibrium Deuterium Isotope Effect in the Bichloride Ion, J. Phys. Chem., 1987, 91, 3, 554, https://doi.org/10.1021/j100287a013 . [all data]

Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P., The hydrogen bond energies of the bihalide ions XHX- and YHX-, Can. J. Chem., 1985, 63, 1399. [all data]

Weiss, Lawrence, et al., 1970
Weiss, M.J.; Lawrence, G.M.; Young, R.A., Photoelectron spectroscopy of HCI and DCI using molecular beams, J. Chem. Phys., 1970, 52, 2867. [all data]

Terwilliger and Smith, 1973
Terwilliger, D.T.; Smith, A.L., Analysis of autoionizing Rydberg states in the vacuum ultraviolet absorption spectrum of HCl and DCl, J. Mol. Spectrosc., 1973, 45, 366. [all data]

Douglas and Greening, 1979
Douglas; Greening, Unpublished cited in Huber and Herzberg, 1979, 1979, 289. [all data]

Tilford and Ginter, 1971
Tilford, S.G.; Ginter, M.L., Electronic spectra and structure of the hydrogen halides: states associated with the («sigma»2«pi»3) c«pi» and («sigma»2«pi»3) c«sigma» configurations of HCl and DCl, J. Mol. Spectrosc., 1971, 40, 568. [all data]

Stamper, 1962
Stamper, J.G., The vacuum ultraviolet spectrum of DCl, Can. J. Phys., 1962, 40, 1274. [all data]

Pickworth and Thompson, 1953
Pickworth, J.; Thompson, H.W., The fundamental vibration-rotation band of deuterium chloride, Proc. R. Soc. London A, 1953, 218, 37. [all data]

Van Horne and Hause, 1956
Van Horne, B.H.; Hause, C.D., Near infrared spectrum of DCl, J. Chem. Phys., 1956, 25, 56. [all data]

Mould, Price, et al., 1960
Mould, H.M.; Price, W.C.; Wilkinson, G.R., Infra-red emission from gases excited by a radio-frequency discharge, Spectrochim. Acta, 1960, 16, 479. [all data]

Hansler and Oetjen, 1953
Hansler, R.L.; Oetjen, R.A., The infrared spectra of HCl, DCl, HBr, and NH3 in the region from 40 to 140 microns, J. Chem. Phys., 1953, 21, 1340. [all data]

Cowan and Gordy, 1958
Cowan, M.; Gordy, W., Precision measurements of millimeter and submillimeter wave spectra: DCl, DBr, and DI, Phys. Rev., 1958, 111, 209. [all data]

De Lucia, Helminger, et al., 1971
De Lucia, F.C.; Helminger, P.; Gordy, W., Submillimeter-wave spectra and equilibrium structures of the hydrogen halides, Phys. Rev. A: Gen. Phys., 1971, 3, 1849. [all data]

Rosenberg, Lightman, et al., 1972
Rosenberg, A.; Lightman, A.; Ben-Reuven, A., Interferometric measurements of the pure rotational spectra of HCl and DCl, J. Quant. Spectrosc. Radiat. Transfer, 1972, 12, 219. [all data]

Kaiser, 1970
Kaiser, E.W., Dipole moment and hyperfine parameters of H35Cl and D35Cl, J. Chem. Phys., 1970, 53, 1686. [all data]

Rank, Eastman, et al., 1962
Rank, D.H.; Eastman, D.P.; Rao, B.S.; Wiggins, T.A., Rotational and vibrational constants of the HCl35 and DCl35 molecules, J. Opt. Soc. Am., 1962, 52, 1. [all data]

Webb and Rao, 1968
Webb, D.U.; Rao, K.N., Vibration rotation bands of heated hydrogen halides, J. Mol. Spectrosc., 1968, 28, 121. [all data]

Crane-Robinson and Thompson, 1963
Crane-Robinson, C.; Thompson, H.W., Pressure broadening studies on vibration-rotation bands. IV. Optical collision diameters for foreign-gas broadening of CO and DCl bands, Proc. R. Soc. London A, 1963, 272, 453. [all data]

James and Thibault, 1964
James, T.C.; Thibault, R.J., Pressure broadening of DCl by HCl and of HCl by DCl. A comparison of experimental results with Anderson's theory, J. Chem. Phys., 1964, 40, 534. [all data]

Jaffe, Hirshfeld, et al., 1964
Jaffe, J.H.; Hirshfeld, M.A.; Ben-Reuven, A., Pressure-induced shifts of DCl lines due to HCl: shift oscillation, J. Chem. Phys., 1964, 40, 1705. [all data]

Smith, 1973
Smith, F.G., Dipole moment function and vibration-rotation matrix elements of HCl35 and DCl35, J. Quant. Spectrosc. Radiat. Transfer, 1973, 13, 717. [all data]

Kaiser, 1974
Kaiser, E.W., Note: Comment to "Dipole moment function and vibration-rotation matrix elements of HCl35 and DCl35", J. Quant. Spectrosc. Radiat. Transfer, 1974, 14, 317. [all data]

Tokuhiro, 1967
Tokuhiro, T., Vibrational and rotational effects on the nuclear quadrupole coupling constants in hydrogen, deuterium, and tritium halides, J. Chem. Phys., 1967, 47, 109. [all data]

Corneil and Pimentel, 1968
Corneil, P.H.; Pimentel, G.C., Hydrogen-chlorine explosion laser. II. DCl, J. Chem. Phys., 1968, 49, 1379. [all data]

Davies and Hallam, 1971
Davies, J.B.; Hallam, H.E., Infra-red cryogenic studies. Part 6. Deuterium chloride in argon and other matrices, Trans. Faraday Soc., 1971, 677, 3176. [all data]

Benedict, Herman, et al., 1956
Benedict, W.S.; Herman, R.; Moore, G.E.; Silverman, S., The strengths, widths, and shapes of infrared lines. II. The HCl fundamental, Can. J. Phys., 1956, 34, 850. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References