Structural features of Formylketene Dithioacetals: With special reference to 2-(4-methoxybenzoyl)-3,3-bis(methylsulfanyl)prop-2-enal - Couverture souple

Joy, Monu; Mathews, Annie; Malayan, Jalaja J

 
9783659944642: Structural features of Formylketene Dithioacetals: With special reference to 2-(4-methoxybenzoyl)-3,3-bis(methylsulfanyl)prop-2-enal
Couverture souple
ISBN 10 : 3659944645 ISBN 13 : 9783659944642
Editeur : LAP LAMBERT Academic Publishing, 2016

Synopsis

In this work, a formylketene dithioacetal derivative was synthesized by using a reported method and its crystal structure study was carried out by means of Single Crystal XRD in order to determine the molecular conformation and to understand the influence of aroyl groups on the stereo chemistry by using Brucker Kappa Apex II Diffractometer and with WinGX software. We are reporting the FT-IR, FT-Raman and FT-NMR spectral characterizations of 2-(4-methoxybenzoyl)-3,3-bis(methylsulfanyl)prop-2-enal, a push-pull butadiene derivative with potential applications. Number of similar aroyl formylketene dithioacetals from acetophenone derivatives are semisolids. Therefore we assume that the methoxy substitution on the benzene ring do influence the crystalline nature of the compound. The structural and spectroscopic data of the molecule in the ground state were calculated by using ab initio (HF/6-31G) and DFT (B3LYP/6-31G(d)) methods. The optimized geometrical and spectroscopic parameters were comparable with experimental as well as literature values.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2016
Langue
anglais
ISBN 10 
3659944645
ISBN 13 
9783659944642
Reliure
Broché
Nombre de pages
84
Coordonnées du fabricant
non disponible
Personne responsable
KreGa Onlinehandel GmbH
4950000000000
info@krega-onlinehandel.de

Birkenweg 31
Brakel
33034
Allemagne