BOWL STACKING IN CURVED POLYNUCLEAR AROMATIC-HYDROCARBONS - CRYSTAL AND MOLECULAR-STRUCTURE OF CYCLOPENTACORANNULENE

Authors
SYGULA A FOLSOM HE SYGULA R ABDOURAZAK AH MARCINOW Z FRONCZEK FR RABIDEAU PW
Citation
A. Sygula et al., BOWL STACKING IN CURVED POLYNUCLEAR AROMATIC-HYDROCARBONS - CRYSTAL AND MOLECULAR-STRUCTURE OF CYCLOPENTACORANNULENE, Journal of the Chemical Society, Chemical Communications, (22), 1994, pp. 2571-2572
Citations number
20
Categorie Soggetti
Chemistry
Journal title
Journal of the Chemical Society, Chemical Communications → ACNP
ISSN journal
00224936
Issue
22
Year of publication
1994
Pages
2571 - 2572
Database
ISI
SICI code
0022-4936(1994):22<2571:BSICPA>2.0.ZU;2-L
Abstract
Cyclopentacorannulene (dibenzo [ghi,mno]cyclopenta[cd]fluoranthene) ex hibits long-range concave-convex bowl stacking in the crystal; its mol ecular structure is satisfactorily described by ab initio calculations at both HF/3-21G and HF/6-31G levels.