ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Spectroscopic investigations of β-dicarbonyl compounds. I. The proton magnetic resonance and quantum chemical study of 2-diformylmethylene-3-ethylbenzothiazolines and benzoselenazolines

M. Holík, V. Skála, and J. Čiernik

Research Institute of Pure Chemicals, Lachema, 621 33 Brno — Řečkovice

Abstract:  From the p.m.r. spectra of 2-diformylmethylene-3-ethylbenzothiazoline, 2-diformylmethylene-3-ethylbenzoselenazoline, 2-diformylmethylene-3-ethyl-5-methoxybenzoselenazoline, and 2-diformylmetbylene-3-ethyl-(1,2-d)-naphthothiazoline and from HMO and SCF MO calculations the conclusion was drawn on the dipolar structure of diformylmethylene derivatives and the s-cis,s-cis conformation of exocyclic C = C and carbonyl double bonds.

Full paper in Portable Document Format: 294a533.pdf

Chemical Papers 29 (4) 533–537 (1975)