THEORETICAL CALCULATIONS OF SOME NEW N-(Α,Β-UNSATURATED ACYL)SULFONAMIDES AND INVESTIGATION ON CORRELATIONS WITH THOSE EXPERIMENTAL VALUES
Abstract
In this study, certain theoretical properties of three N-(α,β-Unsaturated acyl)sulphonamides (3) and seven reactants; Sulfonamides(2) with N-(α,β-unsaturated acyl)benzotriazoles(1) and α,β-unsaturated carboxamides(4) with sulfonylbenzotriazoles(5) (Table 1) , calculated in Gaussian09 program [1] using DFT method at B3LYP/6-311++g(d,p) level of theory.
The theoretical data was then compared with that of certain experimental results [2]
Keywords
References
- Gaussian 09. Revision B.01. Gaussian Inc.. Wallingford. CT. (2009).
- Alan R. Katritzky, S. Hanci, N.K. Meher, Arkivoc 2009 (iv), 115-124 , (2009).
Details
Primary Language
English
Subjects
-
Journal Section
-
Authors
Süreyya Musallı
This is me
Publication Date
January 30, 2015
Submission Date
January 27, 2015
Acceptance Date
-
Published in Issue
Year 2015 Volume: 2 Number: 2
