Ab initio molecular orbital calculations on 1,2-hydrogen shifts in the ethene, allene and propyne radical cations
Author:
Publisher
Elsevier BV
Subject
Spectroscopy
Reference19 articles.
1. Vinylidene radical cation: a sizable barrier to unimolecular rearrangement to the acetylene radical cation
2. Unimolecular decay paths of electronically excited species. II. The C2H+4ion
3. Ab initio molecular orbital calculations on the interconversion of allene and propyne cation radicals and the mechanism for hydrogen loss from C3H4+·
4. The isomerization of C6H6 radical cations. A comparison of photodissociation results with semi-empirical molecular orbital calculations
5. Ab initio calculations on 1,2-hydrogen shifts in the benzene radical cation and on carbon scrambling via an isomerization to the fulvene structure
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1. Infrared spectroscopy of isomers of C3H4+ in superfluid helium droplets;The Journal of Chemical Physics;2024-06-04
2. UV absorption spectrum of allene radical cations in solid argon;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2018-05
3. Observation of Spontaneous C=C Bond Breaking in the Reaction between Atomic Boron and Ethylene in Solid Neon;Angewandte Chemie International Edition;2016-05-30
4. Observation of Spontaneous C=C Bond Breaking in the Reaction between Atomic Boron and Ethylene in Solid Neon;Angewandte Chemie;2016-05-30
5. Photoisomerization and Infrared Spectra of Allene and Propyne Cations in Solid Argon;The Journal of Physical Chemistry Letters;2015-08-04
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