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Bicyclo[3.2.0]hepta-2,6-diene


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
Deltafgas264.kJ/molChydRoth, Adamczak, et al., 1991 

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

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

2Hydrogen + Bicyclo[3.2.0]hepta-2,6-diene = Bicyclo[3.2.0]heptane

By formula: 2H2 + C7H8 = C7H12

Quantity Value Units Method Reference Comment
Deltar-262. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase

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

View reactions leading to C7H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.35PETraeger and McLoughlin, 1978LLK
8.35PITraeger and McLoughlin, 1978LLK
8.92EILifshitz and Bauer, 1963RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5+14.9?EIHarrison, Haynes, et al., 1965RDSH
C5H5+14.89?EILifshitz and Bauer, 1963RDSH
C5H6+10.02?EILifshitz and Bauer, 1963RDSH
C7H7+9.25HPITraeger and McLoughlin, 1978LLK
C7H7+9.66HEILifshitz and Bauer, 1963RDSH

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 C.LIFSHITZ DEPT. PHYS. CHEM., HEBREW UNIV., JERUSALEM, ISRAEL
NIST MS number 760

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References

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

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

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Traeger and McLoughlin, 1978
Traeger, J.C.; McLoughlin, R.G., A photoionization study of the energetics of C7H7+ ion formed from C7H8 precursors, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 319. [all data]

Lifshitz and Bauer, 1963
Lifshitz, C.; Bauer, S.H., Mass spectra of valence tautomers, J. Phys. Chem., 1963, 67, 1629. [all data]

Harrison, Haynes, et al., 1965
Harrison, A.G.; Haynes, P.; McLean, S.; Meyer, F., The mass spectra of methyl-substituted cyclopentadienes, J. Am. Chem. Soc., 1965, 87, 5099. [all data]


Notes

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