| Yazarlar (6) |
M. Kurt
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Prof. Dr. Emine BABUR ŞAŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
M. Can
İzmir Kâtip Çelebi Üniversitesi, Türkiye |
|
S. Okur
İzmir Kâtip Çelebi Üniversitesi, Türkiye |
|
S. Icli
Ege Üniversitesi, Türkiye |
|
S. Demic
İzmir Kâtip Çelebi Üniversitesi, Türkiye |
| Özet |
| The molecular structure and vibrations of 5-(diphenyl) amino] isophthalic acid (DPIFA) were investigated by different spectroscopic techniques (such as infrared and Raman). FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. HOMO-LUMO 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. After optimizing the geometry of the molecule, vibration wavenumbers and fundamental vibrations wavenumbers were assigned on the basis of the potential energy distribution (PED) of the vibrational modes calculated with VEDA 4 program. The results of theoretical calculations for the spectra of the title compound were compared with the observed spectra. |
| Anahtar Kelimeler |
| 5-[(diphenyl) amino] isophthalic acid (DPIFA) | DFT | FT-IR | FT-Raman | dispersive Raman | UV | HOMO-LUMO |
| Bildiri Türü | Tebliğ/Bildiri |
| Bildiri Alt Türü | Tam Metin Olarak Yayınlanan Tebliğ (Uluslararası Kongre/Sempozyum) |
| Bildiri Niteliği | Web of Science Kapsamındaki Kongre/Sempozyum |
| Doi Numarası | 10.1063/1.4897708 |
| Bildiri Dili | İngilizce |
| Kongre Adı | 10TH INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING |
| Kongre Tarihi | 04-04-2014 / 07-04-2014 |
| Basıldığı Ülke | |
| Basıldığı Şehir | Athens, Greece |
| Atıf Sayıları | |
| WoS | 1 |
| SCOPUS | 1 |
| Google Scholar | 1 |
