6533b852fe1ef96bd12ab4fe

RESEARCH PRODUCT

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

Alexander PerjéssyJ. WybraziecZ. SŭstekováErkki KolehmainenArto ValkonenDusan LoosMaija NissinenM. SamalikovaS. FloreaElina SievänenKatri LaihiaWolf-dieter Rudorf

subject

Chemical shiftOrganic ChemistrySubstituentInfrared spectroscopyCarbon-13 NMRRing (chemistry)Analytical ChemistryInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryComputational chemistryProton NMRMoietySingle crystalSpectroscopy

description

Abstract 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 13C NMR chemical shifts and IR stretching wave numbers and Hammett constants of the substituents locating in the phenyl ring of the arylidene moiety.

yearjournalcountryeditionlanguage
2007-08-01Journal of Molecular Structure
https://doi.org/10.1016/j.molstruc.2006.10.048