Comparative NMR and IR spectral, X-ray structural and theoretical studies of eight 6-arylidenedibenzo[b,e]thiepin-11-one-5,5-dioxides

摘要

Eight 6-arylidenedibenzo[b,e]thiepin-11-one-5,5-dioxides are characterized by NMR and IR spectroscopy. Single crystal X-ray structures for three congeners are reported. In addition, the transmission of substituent effects in conjugated double bond system of 6-arylidenedibenzo[b,e]thiepin- 11-one-5,5-dioxide framework has been evaluated by calculating the correlations between selected C-13 NMR chemical shifts and IR stretching wave numbers and Hammett constants of the substituents locating in the phenyl ring of the arylidene moiety. (C) 2006 Elsevier B.V. All rights reserved.