Spectroscopic and Theoretical Studies of Some 3-(4′-Substituted phenylsulfanyl)-1-methyl-2-piperidones

Spectroscopic and Theoretical Studies of Some 3-(4′-Substituted phenylsulfanyl)-1-methyl-2-piperidones

The analysis of the IR carbonyl bands of some 3-(4′-substituted phenylsulfanyl)-1-methyl-2-piperidones 1–6 bearing substituents: NO2 (compound 1), Br (compound 2), Cl (compound 3), H (compound 4) Me (compound 5) and OMe (compound 6) supported by B3LYP/6-31+G(d,p) and PCM calculations along with NBO...

Full description

Bibliographic Details
Main Authors: Julio Zukerman-Schpector, Elisângela Vinhato, Daniel N. S. Rodrigues, Carlos R. Cerqueira, Bruna Contieri, Jean M. M. Santos, Paulo R. Olivato, Maurizio Dal Colle
Format: Article
Language:English
Published: MDPI AG 2013-06-01
Series:Molecules
Subjects:
conformational analysis
infrared spectroscopy
theoretical calculations
3-(4′-substituted phenylsulfanyl)-1-methyl-2-piperidones
X-ray crystal structure
Online Access:http://www.mdpi.com/1420-3049/18/7/7492

Internet

http://www.mdpi.com/1420-3049/18/7/7492

Similar Items