| Yazarlar |
Prof. Dr. Mustafa KURT
Ahi Evran Üniversitesi, Türkiye |
Prof. Dr. Tevfik Raci SERTBAKAN
Ahi Evran Üniversitesi, Türkiye |
Doç. Dr. Mustafa ÖZDURAN
Ahi Evran Üniversitesi, Türkiye |
| Özet |
| The experimental and theoretical vibrational spectra of 3- and 4-pyridineboronic acids (abbreviated as p3 and p4) were studied. The Fourier transform Raman and Fourier transform infrared spectra of p3 and p4 molecules were recorded in the solid phase. The structural and spectroscopic analysis of the p3 and p4 acids were made by using density functional harmonic calculations. Both p3 and p4 only one form was most stable using B3LYP level with the 6-31G(d), 6-31G(d,p), 6-311G(d), 6-311G(d,p) and 6-311++G(d,p) basis sets. Selected experimental bands were assigned based on the scaled theoretical wavenumbers. Finally, geometric parameters, infrared and Raman bands and intensities were compared with experimental data of the molecules. (C) 2007 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| pyridineboronic acid, IR and Raman spectra, DFT, B3LYP |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Dergi ISSN | 1386-1425 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 08-2008 |
| Cilt No | 70 |
| Sayı | 3 |
| Sayfalar | 664 / 673 |
| Doi Numarası | 10.1016/j.saa.2007.08.019 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S1386142507004891 |
| Atıf Sayıları | |
| WoS | 74 |
| Google Scholar | 76 |
