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Spectroscopic Detection and Theoretical Studies of a 2:1 Bromine–Olefin π Complex
Author(s) -
Bianchini Roberto,
Lenoir Dieter,
Herges Rainer,
Grunenberg Jörg,
Chiappe Cinzia,
Lemmen Peter
Publication year - 1997
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199712841
Subject(s) - bromine , olefin fiber , halogenation , electrophile , chemistry , spectroscopy , computational chemistry , photochemistry , organic chemistry , physics , catalysis , quantum mechanics
An L‐shaped arrangement of bromine atoms is found in the 2:1 π complex formed by electrophilic bromination of tetraneopentylethene (see below). The reaction stops at this stage, which for the first time allows detection and determination of the thermodynamic parameters by UV spectroscopy of a 2:1 bromine–olefin complex. Theoretical calculations predict an olefin · Br 2 · Br 2 rather than a Br 2 · olefin · Br 2 structure.