ISSN:
1573-9171
Keywords:
conformational analysis
;
1,4-cyclohexadiene, conformational flexibility
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The electronic structure of 1,4-cyclohexadiene for various angles between the double bond planes has been calculated by the AM1 method. The effects of through-bond and through-space interactions, which result in flattening and unflattening, respectively, are oppositely directed. These effects are specified for various bending angles. In addition to steric factors, electronic factors affect the conformational flexibility of 1,4-cyclohexadiene.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00697157
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