SPECTROSCOPIC AND ELECTRONIC PROPERTIES OF NEW SULFONAMIDE COMPOUND | SPECTROSCOPIC AND ELECTRONIC PROPERTIES OF N,N'- DIETHYLENEBIS (O-TOLUENESULFONAMIDE) (OTSEN)

Publisher

LAP LAMBERT Academic Publishing

Publication Date

2022

Language

English

ISBN 10

6205512033

ISBN 13

9786205512036

Binding

Taschenbuch

Condition

Neu

Dimensions

Weight

102 grams

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Synopsis

The chemical structure of N,N'- diethylenebis (o-toluenesulfonamide) (otsen) was investigated using 1H-NMR, 13C-NMR, and FT-IR spectroscopic techniques in this work. As a consequence of the vibration frequency, 1H-NMR, and 13C-NMR calculations, it was determined that the theoretical and experimental values were consistent. In addition, HOMO-LUMO molecular orbital energies, nonlinear optical characteristics including polarizability, hyperpolarizability (NLO), and molecular electrostatic potential (MESP) of N,N'- diethylenebis (o-toluenesulfonamide) (otsen)) were studied. As a consequence of the geometry optimization computation, the S=O and S-N bond lengths were determined to be somewhat longer than those observed in prior research. Calculations determined that the energy band gap between the HOMO and LUMO orbitals of the studied compound was 5.56 eV and the initial static hyperpolarizability was 2228.1x10-33esu.

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