ISSN:
0894-3230
Keywords:
Organic Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
X-ray data on the crystal and molecular structure of 1,3-dimethyl-6,7- dimethoxy-2-benzopyrylium perchlorate show a good correlation with the geometry of the same cation calculated by the MINDO/3 and MNDO methods with total optimization of all geometrical parameters. The geometry of substituted pyrylium cations was determined by the MNDO and AM1 methods. On the basis of the data obtained, some effects of benzo [c] annelation are displayed for the 2-benzopyrylium cation in comparison with the pyrylium cation.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/poc.610040103
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