| Yazarlar |
Doç. Dr. Emine BABUR ŞAŞ
Ahi Evran Üniversitesi, Türkiye |
Prof. Dr. Mustafa KURT
Ahi Evran Üniversitesi, Türkiye |
Mustafa Can
İzmir Katip Çelebi Üniversitesi, Türkiye |
|
Nesrin Horzum Polat
İzmir Katip Çelebi Üniversitesi, Türkiye |
|
Ahmet Ataç
Celâl Bayar Üniversitesi, Türkiye |
| Özet |
| 9H-Carbazole-9-(4-phenyl) boronic acid pinacol ester (9-CPBAPE) molecule was investigated by FT-IR, Raman, UV vis, H-1 and C-13 NMR spectra. FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. H-1, C-13 NMR and UV-vis spectra were recorded in dimethyl sulfoxide (DMSO) solution. The results of theoretical calculations for the spectra of the title molecule were compared with the experimental spectra. The highest occupied molecular orbital (HOMO) the lowest unoccupied molecular orbital (LUMO) and molecular electrostatic potential (MEP) analyses were performed. The theoretical calculations for the molecular structure and spectroscopic studies were performed with DFT (B3LYP) and 6-311G (d,p) basis set calculations using the Gaussian 09 program. The total (TDOS), partial (PDOS) density of state and overlap population density of state (OPDOS) diagrams analyses were performed using GaussSum 2.2 program. (C) 2016 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| 9H-carbazole-9-(4-phenyl) boronic acid pinacol ester, DFT, FT-IR, FT-Raman, Dispersive Raman, UV and NMR spectra, NBO, HOMO-LUMO |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Journal of Molecular Structure |
| Dergi ISSN | 0022-2860 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 03-2016 |
| Cilt No | 1118 |
| Sayfalar | 124 / 138 |
| Doi Numarası | 10.1016/j.molstruc.2016.03.064 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022286016302605 |
| Atıf Sayıları | |
| WoS | 14 |
| Google Scholar | 18 |
