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1,2,3‐Tridehydrobenzene
Author(s) -
Venkataramani Sugumar,
Winkler Michael,
Sander Wolfram
Publication year - 2005
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/anie.200501912
Subject(s) - ground state , ab initio , spectrum (functional analysis) , computational chemistry , state (computer science) , chemistry , physics , atomic physics , mathematics , quantum mechanics , algorithm
The first representative of the tridehydrobenzenes that could be spectroscopically characterized and isolated in cryogenic matrices is 1,2,3‐tridehydrobenzene. Comparison of the measured IR spectrum with high‐level ab initio calculations allows the assignment of a 2 A 1 ground state to this unusual radical.