Structural and electronic properties of perchlorocoronene

Authors
Erkoc, S Erkoc, F Turker, L
Citation
S. Erkoc et al., Structural and electronic properties of perchlorocoronene, J MOL ST-TH, 535, 2001, pp. 159-164
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
535
Year of publication
2001
Pages
159 - 164
Database
ISI
SICI code
0166-1280(20010115)535:<159:SAEPOP>2.0.ZU;2-C
Abstract
The structural and electronic properties of perchlorocoronene (C24Cl12) hav e been investigated theoretically by using semiempirical molecular orbital theory at the level of AM1 calculations. The optimized structure and the el ectronic structure of the molecule are obtained. (C) 2001 Elsevier Science B.V. All rights reserved.