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Experimental and Theoretical IR Spectra of the 2‐Norbornyl Cation
Author(s) -
Koch Wolfram,
Liu Bowen,
DeFrees Douglas J.,
Sunko Dionis E.,
Vancčik Hrvoj
Publication year - 1990
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.199001831
Subject(s) - 2 norbornyl cation , chemistry , ab initio , spectrum (functional analysis) , computational chemistry , infrared , ab initio quantum chemistry methods , infrared spectroscopy , deformation (meteorology) , spectral line , crystallography , physics , stereochemistry , molecule , quantum mechanics , organic chemistry , meteorology
The nonclassical structure of the 2‐norbornyl cation 1 is further supported by new evidence . The IR spectrum of 1 in an SbF 5 matrix is in very good agreement with the IR spectrum calculated by ab initio methods assuming structure 1 . Thus, the most intense bands observed experimentally in the region of deformation modes lie at 1435, 1305, and 878 cm −1 ; the corresponding calculated bands lie at 1428, 1296, and 875cm −1 .
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