| Yazarlar |
Doç. Dr. Emine BABUR ŞAŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Prof. Dr. Mustafa KURT
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| The geometric structure of 3-fluoro-4-fomylphenylboronic acid (3-4FPBA) molecule were investigated withDFT/B3LYP/6-311++G(d,p) level. The FT-IR and FT-Raman spectra were recorded for the title molecule.Theoretical wavenumber and Mulliken charges were also calculated by using the same method and comparedtheoretical wavenumber with experimental wavenumbers (FT-IR and FT-Raman) which have a good agreement.Furthermore, electronic structure properties of in the title molecule such as HOMO-LUMO and MolecularElectrostatic Potential (MEP) were investigated by TD-DFT method. |
| Anahtar Kelimeler |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | Ulusal alan endekslerinde (TR Dizin, ULAKBİM) yayımlanan tam makale |
| Dergi Adı | Sakarya University Journal of Science |
| Dergi ISSN | 1301-4048 |
| Dergi Tarandığı Indeksler | TR DİZİN |
| Makale Dili | Türkçe |
| Basım Tarihi | 09-2018 |
| Cilt No | 22 |
| Sayı | 6 |
| Sayfalar | 1886 / 1892 |
| Doi Numarası | 10.16984/saufenbilder.423358 |
| Makale Linki | http://dergipark.gov.tr/doi/10.16984/saufenbilder.423358 |
| Atıf Sayıları |
