1,1'-Bicyclopropyl

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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

View reactions leading to C6H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.9PESpanget-Larsen, Gleiter, et al., 1982LBLHLM
9.12 ± 0.05EIWolkoff, Holmes, et al., 1980LLK
9.04PEBodor, Dewar, et al., 1970RDSH
8.80 ± 0.02EIWinters and Collins, 1969RDSH
9.5PESpanget-Larsen, Gleiter, et al., 1982Vertical value; LBLHLM
9.6PEAsmus and Klessinger, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+11.99 ± 0.18?EIWinters and Collins, 1969RDSH
C3H5+10.64 ± 0.14?EIWinters and Collins, 1969RDSH
C4H5+11.22 ± 0.14?EIWinters and Collins, 1969RDSH
C4H6+9.34 ± 0.06?EIWinters and Collins, 1969RDSH
C5H5+12.20 ± 0.13?EIWinters and Collins, 1969RDSH
C5H7+9.34 ± 0.05CH3EIWolkoff, Holmes, et al., 1980LLK
C5H7+9.12 ± 0.08CH3EIWinters and Collins, 1969RDSH
C6H7+10.97 ± 0.19H2+HEIWinters and Collins, 1969RDSH
C6H9+9.33 ± 0.15HEIWinters and Collins, 1969RDSH

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 456

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Gas Chromatography

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane120.640.2Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane80.646.2Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySqualane640.Chen, 2008Program: not specified

References

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

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

Spanget-Larsen, Gleiter, et al., 1982
Spanget-Larsen, J.; Gleiter, R.; Gubernator, K.; Ternansky, R.J.; Paquette, L.A., Electronic and molecular structure of simple bicyclopropyls. Photoelectron spectroscopy and model calculations, J. Org. Chem., 1982, 47, 3082. [all data]

Wolkoff, Holmes, et al., 1980
Wolkoff, P.; Holmes, J.L.; Lossing, F.P., On the formation of cyclopentenium cations from all C6H10+ molecular ion structures, Can. J. Chem., 1980, 58, 251. [all data]

Bodor, Dewar, et al., 1970
Bodor, N.; Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO SCF MO method, J. Am. Chem. Soc., 1970, 92, 19. [all data]

Winters and Collins, 1969
Winters, R.E.; Collins, J.H., Mass spectrometric studies of structural isomers. II.Mono- and bicyclic C6H10 molecules, Org. Mass Spectrom., 1969, 2, 299. [all data]

Asmus and Klessinger, 1976
Asmus, P.; Klessinger, M., Wechselwirkung der Walsh-Orbitale in Bicyclopropyl, Angew. Chem., 1976, 88, 343. [all data]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Use of retention increments for identification and correlation of saturated and unsaturated cyclopropane hydrocarbons by means of Kovats indices, Anal. Chem., 1973, 45, 9, 1647-1658, https://doi.org/10.1021/ac60331a021 . [all data]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References