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Thiophosgene


Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid5.05kcal/molEqkRaskina, Suvorov, et al., 1972 

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:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)179.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity172.5kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.68PEMines, Thomas, et al., 1973LLK
9.61 ± 0.02PEChadwick, 1972LLK
9.80PEWittel, Hass, et al., 1972Vertical value; LLK

Mass spectrum (electron ionization)

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

Spectrum

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Mass spectrum
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Additional Data

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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 RADIAN CORP
NIST MS number 73709

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

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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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UVVis spectrum
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Additional Data

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Source Farnsworth and King, 1973
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. 15935
Instrument Cary 14

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:   C2nu     Symmetry Number sigma = 2


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

a1 1 CS str 1137  C 1137 VS gas 1121 liq.
a1 2 CCl2 s-str 505  C 505 M gas 496 liq.
a1 3 CCl2 scis 220  D 220 VW b gas 200 liq.
b1 4 CCl2 a-str 816  C 816 gas
b1 5 CS deform 294  C 294 VS gas 287 liq.
b2 6 op-Bend 473  C 473 W gas

Source: Shimanouchi, 1972

Notes

VSVery strong
MMedium
WWeak
VWVery weak
bBroad
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.

Raskina, Suvorov, et al., 1972
Raskina, A.D.; Suvorov, B.A.; Zetkin, V.I.; Kolesnikov, I.M.; Zakharov, E.V., Calculation of thermodynamic data for reactions of carbon disulfide chlorination, J. Appl. Chem. USSR, 1972, 45, 683-685. [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]

Mines, Thomas, et al., 1973
Mines, G.W.; Thomas, R.K.; Thompson, H., The photoelectron spectra of thiocarbonyl fluoride and thiocarbonyl chloride, Proc. R. Soc. London A:, 1973, 333, 171. [all data]

Chadwick, 1972
Chadwick, D., Photoelectron spectra of phosgene and thiophosgene, Can. J. Chem., 1972, 50, 737. [all data]

Wittel, Hass, et al., 1972
Wittel, K.; Hass, A.; Bock, H., Photoelektronenspektren und molekuleigenschaften, XVI. Thiocarbonylhalogenide-orbitale und ladungen, Chem. Ber., 1972, 105, 3865. [all data]

Farnsworth and King, 1973
Farnsworth, E.R.; King, G.W., J. Mol. Spectr., 1973, 46, 419. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References