Ethanedione, diphenyl-

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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:
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

Ionization energy determinations

IE (eV) Method Reference Comment
8.68 ± 0.05PIPolevoi, Matyuk, et al., 1987LBLHLM
8.72EIElder, Beynon, et al., 1976LLK
8.86 ± 0.15EIScheppele, Mitchum, et al., 1973LLK
8.78 ± 0.05EINatalis and Franklin, 1965RDSH
8.9 ± 0.05PEMcAlduff and Bunbury, 1979Vertical value; LLK
9.1PEArnett, Newkome, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+15.1 ± 0.2?EINatalis and Franklin, 1965RDSH
C7H5O+9.43 ± 0.05C6H5COPIPolevoi, Matyuk, et al., 1987LBLHLM
C7H5O+9.64C6H5COEIElder, Beynon, et al., 1976LLK
C7H5O+9.70 ± 0.05?EINatalis and Franklin, 1965RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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 TEXAS A&M UNIVERSITY, COLLEGE STATION, TEXAS, USA
NIST MS number 9668

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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, Eugeny B. Stern, Antonina A. Goncharova, 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 Bartecki, Szoke, et al., 1961
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. 8965
Instrument Beckman DU
Melting point 94.8
Boiling point 347

Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedOV-1011768.Zenkevich, Acevedo, et al., 1991Celite 545 (0.20-0.25 mm), 10. K/min; Column length: 1.2 m; Tstart: 100. C; Tend: 300. C

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.

Polevoi, Matyuk, et al., 1987
Polevoi, A.V.; Matyuk, V.M.; Grigor'eva, G.A.; Potapov, V.K., Formation of intermediate products during the resonance stepwise polarization of dibenzyl ketone and benzil molecules, Russ. J. Phys. Chem., 1987, 21, 12. [all data]

Elder, Beynon, et al., 1976
Elder, J.F.; Beynon, J.H.; Cooks, R.G., The benzoyl ion. Thermochemistry and kinetic energy release, Org. Mass Spectrom., 1976, 11, 415. [all data]

Scheppele, Mitchum, et al., 1973
Scheppele, S.E.; Mitchum, R.K.; Kinneberg, K.F.; Meisels, G.G.; Emmel, R.H., Internal energy distributions and the fragmentation of gaseous organic ions. Dissociation of ions produced by electron impact on 4-methylbenzil, J. Am. Chem. Soc., 1973, 95, 5105. [all data]

Natalis and Franklin, 1965
Natalis, P.; Franklin, J.L., Ionization and dissociation of diphenyl and condensed ring aromatics by electron impact. II. Diphenylcarbonyls and ethers, J. Phys. Chem., 1965, 69, 2943. [all data]

McAlduff and Bunbury, 1979
McAlduff, E.J.; Bunbury, D.L., Photoelectron spectra of some aromatic mono-and di-ketones, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 81. [all data]

Arnett, Newkome, et al., 1974
Arnett, J.F.; Newkome, G.; Mattice, W.L.; McGlynn, S.P., Excited electronic states of the α-dicarbonyls, J. Am. Chem. Soc., 1974, 96, 4385. [all data]

Bartecki, Szoke, et al., 1961
Bartecki, A.; Szoke, J.; Varsanyi, G.; Vizesy, M., Absorption spectra in the ultraviolet and visible region. Volume 2, Academic Press Inc., New York, 1961, 256. [all data]

Zenkevich, Acevedo, et al., 1991
Zenkevich, I.G.; Acevedo, J.M.; Aguilera, I.R., Increments of Gas Chromatographic Retention Indices for Characterization of Organic Reactions, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, 1991, 2, 51-56. [all data]


Notes

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