HIGH-RESOLUTION H-1-NMR AND C-13-NMR SPECTRAL CHARACTERIZATION AND DETERMINATION OF MOLECULAR-CONFORMATION OF 4 DIBENZO-POLYCYCLIC HYDROCARBONS BY MOLECULAR-DYNAMICS

Authors
HADA C ROUSSEL JC BECCAT P BOULET R BANCIU MD
Citation
C. Hada et al., HIGH-RESOLUTION H-1-NMR AND C-13-NMR SPECTRAL CHARACTERIZATION AND DETERMINATION OF MOLECULAR-CONFORMATION OF 4 DIBENZO-POLYCYCLIC HYDROCARBONS BY MOLECULAR-DYNAMICS, Revue Roumaine de Chimie, 42(9), 1997, pp. 777-785
Citations number
11
Journal title
Revue Roumaine de Chimie → ACNP
ISSN journal
00353930
Volume
42
Issue
9
Year of publication
1997
Pages
777 - 785
Database
ISI
SICI code
0035-3930(1997)42:9<777:HHACSC>2.0.ZU;2-M
Abstract
The paper presents a high-resolution H-1- and C-13-NMR study of four d ibenzo-polycyclic hydrocarbons namely: 1b-dihydro-1H-dibenzo[a,e]cyclo propa[c]cyclooctene (1); [c,i]tetracyclo[4.4.0.0(2,8).0(5,7)]deca-3,9- diene (2); 6a,10b-dihydrobenzo[a]biphenylene (3) and 9,10-dihydro-9,10 -ethenoanthracene (4). The molecular conformations deduced by molecula r dynamics were confirmed by NMR data.