Back to Search
Start Over
Vibrational and computational analysis for molecular structure properties of N-(2-(trifluoromethyl)phenyl)acetamide: Density functional theory approach.
- Source :
-
Spectroscopy Letters . 2019, Vol. 52 Issue 9, p563-576. 14p. - Publication Year :
- 2019
-
Abstract
- The conformational study using Potential Energy Surface analysis was performed and its minimum energy conformer has been obtained for N-(2-(Trifluoromethyl)phenyl)acetamide. Fourier Transform Infrared and Fourier Transform Raman investigation have been done experimentally and theoretically. Nuclear Magnetic Resonance analysis has been performed to obtain 1H and 1C chemical shifts. Ultraviolet-Visible analysis has been performed to obtain maximum absorption wavelength. The molecular orbital diagram with different energies has been obtained and compared with the band gap of Ultraviolet-Visible data. Wave function analysis has been discussed to know the electronic properties. Thus, this present study reports the structural, electrical, chemical activities of the title compound. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00387010
- Volume :
- 52
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- Spectroscopy Letters
- Publication Type :
- Academic Journal
- Accession number :
- 139566907
- Full Text :
- https://doi.org/10.1080/00387010.2019.1678175