| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1505298 | Solid State Sciences | 2012 | 12 Pages |
Abstract
⺠FT-IR and FT-Raman spectra of 4-amino-3(4-chlorophenyl) butanoic acid in the solid phase were recorded and analyzed. ⺠The optimized geometry and vibrational wavenumbers were computed using ab initio HF and DFT methods. ⺠The first order hyperpolarizability and HOMO, LUMO energy gap were theoretically predicted. ⺠The NBO analysis explained the intramolecular hydrogen bonding.
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Authors
S. Muthu, E. Isac Paulraj,