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Acetylene, bromo-

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

Quantity Value Units Method Reference Comment
Deltafgas269. ± 6.3kJ/molIonOkabe, 1975 

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil277.9KN/AWeast and Grasselli, 1989BS
Tboil277.8KN/ABuckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
25.6273.AStephenson and Malanowski, 1987Based on data from 214. - 273. K.; AC

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

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

Ionization energy determinations

IE (eV) Method Reference Comment
10.31 ± 0.02PEAllan, Kloster-Jensen, et al., 1977LLK
10.762 ± 0.004SEvans, Scheps, et al., 1973LLK
10.3 ± 0.1EIKloster-Jensen, Pascual, et al., 1970RDSH
10.24PEHaink, Heilbronner, et al., 1970RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+15.90C2HPIEland, 1979Unpublished result of S.I.Miller and J.Berkowitz; LLK
CBr+18.1 ± 0.1CHEIKloster-Jensen, Pascual, et al., 1970RDSH
CH+20.3 ± 0.2CBrEIKloster-Jensen, Pascual, et al., 1970RDSH
C2H+15.56BrPIEland, 1979Unpublished result of S.I.Miller and J.Berkowitz; LLK
C2H+15.4 ± 0.1BrPEAllan, Kloster-Jensen, et al., 1977Unpublished result of H. Baumgartel, E. Kloster-Jensen, W. Lohr, J.P. Maier, H. Oertel, and H. Schenk; LLK

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:   Cinftynu     Symmetry Number sigma = 1


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

«sigma»+ 1 CH str 3325  B 3325 VS gas
«sigma»+ 2 CC str 2085  B 2085 VS gas
«sigma»+ 3 CBr str 618  C 618 VS gas SF(«nu»4)
«pi» 4 CH bend 618  C 618 VS gas SF(«nu»3)
«pi» 5 CCBr bend 295  B 295 W gas

Source: Shimanouchi, 1972

Notes

VSVery strong
WWeak
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

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

Okabe, 1975
Okabe, H., Photodissociation of acetylene and bromoacetylene in the vacuum ultraviolet. Production of electronically excited ethynyl and ethynylene molecules, J. Chem. Phys., 1975, 62, 2782-2787. [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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [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]

Allan, Kloster-Jensen, et al., 1977
Allan, M.; Kloster-Jensen, E.; Maier, J.P., Emission spectra of Cl-C«equiv»C-H+, Br-C«equiv»C-H+ and I-C«equiv»C-H+ radical cations: A2«PI» --> X.2«PI» band systems and the decay of the A2«PI» states, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1406. [all data]

Evans, Scheps, et al., 1973
Evans, K.; Scheps, R.; Rice, S.A.; Heller, D., Primary photochemical and photophysical processes in chloro- and bromo-acetylene, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 856. [all data]

Kloster-Jensen, Pascual, et al., 1970
Kloster-Jensen, E.; Pascual, C.; Vogt, J., Mass spectrometric studies of mono- and di-haloacetylenes,, Helv. Chim. Acta, 1970, 53, 2109. [all data]

Haink, Heilbronner, et al., 1970
Haink, H.J.; Heilbronner, E.; Hornung, V.; KlosterJensen, E., Die Photoelektron-Spektren der Monohalogenacetylene, Helv. Chim. Acta, 1970, 53, 1073. [all data]

Eland, 1979
Eland, J.H.D., Dissociations of state-selected C2H2+, H2S+ and D2S+ ions studied by photoelectron-photoion coincidence spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1979, 31, 161. [all data]

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


Notes

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