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A C 2v ‐Symmetric Barbaralane
Author(s) -
Reiher Markus,
Kirchner Barbara
Publication year - 2002
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20020916)41:18<3429::aid-anie3429>3.0.co;2-y
Subject(s) - derivative (finance) , inverse , quantum chemical , physics , computational chemistry , chemistry , quantum mechanics , mathematics , molecule , geometry , financial economics , economics
A homoaromatic C 2v ‐symmetric tetraphosphabarbaralane is the candidate for the first barbaralane derivative with “inverse” barrier to Cope rearrangement according to quantum chemical calculations (see scheme) as its C s ‐symmetric form with localized double bonds is higher in energy.