Quantum chemical determination of molecular geometries, interpretation of FT-IR, FT-Raman spectra and charge transfer properties for N-(2-cyanoethyl)-N-methylaniline-Reference-Cited by-同舟云学术

Quantum chemical determination of molecular geometries, interpretation of FT-IR, FT-Raman spectra and charge transfer properties for N-(2-cyanoethyl)-N-methylaniline

Published:2014-04 Issue: Volume:124 Page:1-11
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Revathi B.,Nataraj A.,Balachandran V.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference38 articles.

1. http://www.chemicalland21.com.

2. M.J. Frisch, G.W. Trucks, et al., GAUSSIAN 09: Revision A. 02; Gaussian. Inc., Wallingford, CT, 2009.

3. Ab Initio Molecular Orbital Theory;Hehre,1986

4. Ab initio studies of the conformation dependence of the spectra of stable conformers of n-pentane and n-hexane

5. Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Potentially useful to NLO materials: 4-Chloro-3-(trifluoromethyl)aniline, 4-bromo-3-(trifluoromethyl)aniline and 4-fluoro-3-(trifluoromethyl)aniline are combined experimental and theoretical vibrational analysis;Journal of Molecular Structure;2017-08

2. Assessment of long-range corrected and conventional DFT functional for the prediction of second – Order NLO properties and other molecular properties of N-(2-cyanoethyl)-N-butylaniline – A vibrational spectroscopy study;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2015-07

3. Molecular structure, NLO, MEP, NBO analysis and spectroscopic characterization of 2,5-dimethylanilinium dihydrogen phosphate with experimental (FT-IR and FT-Raman) techniques and DFT calculations;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2014-12

4. Microwave-assisted synthesis, structure and properties of a co-crystal compound with 2-ethoxy-6-methyliminomethyl-phenol;Supramolecular Chemistry;2014-10-21

5. Molecular structure, vibrational spectra and nonlinear optical properties of 2,5-dimethylanilinium chloride monohydrate: A density functional theory approach;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2014-06