A mechanism for hydrogen scrambling in ionized benzene

Gordon A. Gallup; David Steinheider; Michael L. Gross

doi:10.1016/0020-7381(76)80118-0

A mechanism for hydrogen scrambling in ionized benzene

Gordon A. Gallup
, David Steinheider
, Michael L. Gross

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

By SCF molecular orbital calculations, it has been shown that hydrogen atom scrambling for ionized benzene can occur via a simple movement of one proton to an adjacent carbon. The cyclic intermediate ion has an energy of 1.86 eV above the ionization potential of benzene, which is lower than the energy necessary for fragmentation or for ring opening.

Original language	English
Pages (from-to)	185-188
Number of pages	4
Journal	International Journal of Mass Spectrometry and Ion Physics
Volume	22
Issue number	1-2
DOIs	https://doi.org/10.1016/0020-7381(76)80118-0
State	Published - Nov 1976

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title = "A mechanism for hydrogen scrambling in ionized benzene",

abstract = "By SCF molecular orbital calculations, it has been shown that hydrogen atom scrambling for ionized benzene can occur via a simple movement of one proton to an adjacent carbon. The cyclic intermediate ion has an energy of 1.86 eV above the ionization potential of benzene, which is lower than the energy necessary for fragmentation or for ring opening.",

author = "Gallup, \{Gordon A.\} and David Steinheider and Gross, \{Michael L.\}",

year = "1976",

month = nov,

doi = "10.1016/0020-7381(76)80118-0",

language = "English",

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journal = "International Journal of Mass Spectrometry and Ion Physics",

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T1 - A mechanism for hydrogen scrambling in ionized benzene

AU - Gallup, Gordon A.

AU - Steinheider, David

AU - Gross, Michael L.

PY - 1976/11

Y1 - 1976/11

N2 - By SCF molecular orbital calculations, it has been shown that hydrogen atom scrambling for ionized benzene can occur via a simple movement of one proton to an adjacent carbon. The cyclic intermediate ion has an energy of 1.86 eV above the ionization potential of benzene, which is lower than the energy necessary for fragmentation or for ring opening.

AB - By SCF molecular orbital calculations, it has been shown that hydrogen atom scrambling for ionized benzene can occur via a simple movement of one proton to an adjacent carbon. The cyclic intermediate ion has an energy of 1.86 eV above the ionization potential of benzene, which is lower than the energy necessary for fragmentation or for ring opening.

UR - https://www.scopus.com/pages/publications/0041991458

U2 - 10.1016/0020-7381(76)80118-0

DO - 10.1016/0020-7381(76)80118-0

M3 - Article

AN - SCOPUS:0041991458

SN - 0020-7381

VL - 22

SP - 185

EP - 188

JO - International Journal of Mass Spectrometry and Ion Physics

JF - International Journal of Mass Spectrometry and Ion Physics

IS - 1-2

ER -

A mechanism for hydrogen scrambling in ionized benzene

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