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Computational analysis of 1‐methoxybicyclo[3.2.0]hepta‐3,6‐dien‐2‐one and its enantiomeric separation
Author(s) -
Sohlberg Karl,
Chen Yibai
Publication year - 2003
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.581
Subject(s) - chemistry , tropolone , enantiomer , computational chemistry , ether , stereochemistry , chromatography , organic chemistry
A theoretical analysis of the primary photochemical products of irradiation of α‐tropolone methyl ether is presented. Through this analysis, the fact that only two of the four possible stereoisomers of the product are experimentally observed may be explained. We also present a computational scheme for identifying the enantiomers separated by chiral gas chromatography. Copyright © 2003 John Wiley & Sons, Ltd.