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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Arunagiri, C. Maruthaiveeran, N. Arivazhagan, M. Subashini, A. |
| Description | Country affiliation: India Author Affiliation: Arunagiri C ( Research Department of Physics, Government Arts College, Ariyalur 621 713, TN, India.); Arivazhagan M ( Research Department of Physics, A.A. Government Arts College, Musiri 621 201, TN, India. Electronic address: jjmarivu@yahoo.co.in.); Subashini A ( Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, TN, India.); Maruthaiveeran N ( Research Department of Physics, A.A. Government Arts College, Musiri 621 201, TN, India.) |
| Abstract | The FT-IR and FT-Raman spectra of 4-chloro-2-nitroanisole were recorded and analyzed. The vibrational wavenumbers were examined theoretically with the aid of the GAUSSIAN 09 package of programs using the B3LYP/6-311G(d,p) and 6-311++G(d,p) levels of theory. The data obtained from vibrational wavenumber calculations are used to assign vibrational bands obtained in IR and Raman spectroscopy of the studied molecule. The first hyperpolarizability, NBO, HOMO-LUMO, NMR, UV, infrared intensities and Raman intensities are reported. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive object for future studies of non-linear optics. The geometrical parameters of the title compound are in good agreement with the values of similar structures. |
| ISSN | 13861425 |
| Volume Number | 131 |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2014-10-15 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Anisoles Chemistry Thermodynamics Halogenation Molecular Conformation Quantum Theory Spectroscopy, Fourier Transform Infrared Spectrum Analysis, Raman Journal Article Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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