X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE ENDOPEROXIDE OF ANTHRA[1,9-BC-4,10-B'C']DICHROMENE

Authors
WATANABE T TACHIKAWA T KITAHARA N TOKITA S
Citation
T. Watanabe et al., X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE ENDOPEROXIDE OF ANTHRA[1,9-BC-4,10-B'C']DICHROMENE, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 297, 1997, pp. 277-282
Citations number
15
Categorie Soggetti
Crystallography
Journal title
Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals → ACNP
ISSN journal
1058725X
Volume
297
Year of publication
1997
Pages
277 - 282
Database
ISI
SICI code
1058-725X(1997)297:<277:XCAOTE>2.0.ZU;2-N
Abstract
X-ray crystallographic analysis of the single crystals of endoperoxide of anthra[1,9-bc:4,10-b'c']dichromene (1) has revealed the positions of singlet oxygen addition to 1. The sites of oxygen attack were 9- an d 10-positions of anthracene moieties but not 1- and 4-positions, coin cided with the prediction from the coefficients of highest occupied mo lecular orbital calculated by AM1 or PM3 method.