| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1231730 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 10 Pages |
Abstract
⺠4-[(4-Aminobenzene) sulfonyl] aniline has anti-inflammatory effect. ⺠We have assigned the fundamental mode on the basis of a group vibrational concept and calculated vibrational wavenumbers. ⺠13C and 1H chemical shift calculations of the 4-[(4-aminobenzene) sulfonyl] aniline have been made. ⺠Overlap between Ï (CC) and Ï* (CC) bond orbital. ⺠The compound has 65 occupied molecular orbitals.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
![Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method](/preview/png/1231730.png "First Page Preview: Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method")
Authors
S. Muthu, J. Uma Maheswari,