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Bromine Complexes of Ethylene and Cyclopropene: Matrix‐IR‐Spectroscopic Identification, Photochemical Reactions, Ab Initio Studies
Author(s) -
Maier Günther,
Senger Stefan
Publication year - 1997
Publication title -
liebigs annalen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 0947-3440
DOI - 10.1002/jlac.199719970208
Subject(s) - cyclopropene , chemistry , bromine , ethylene , ab initio , photochemistry , matrix isolation , ab initio quantum chemistry methods , computational chemistry , matrix (chemical analysis) , infrared spectroscopy , organic chemistry , catalysis , molecule , chromatography
The matrix‐isolated ethylene–bromine complex ( 1 ) and the cyclopropene–bromine complex ( 8 ) have been chosen to examine which ab initio method (MP2 or BLYP) is more suitable to calculate the IR spectra and structures of π complexes. In addition the photochemistry of 1 and 8 has been investigated and the mechanism of the photochemically induced reactions is discussed.