Some Molecular Properties and Reaction Mechanism of Synthesized Isatin Thiosemicarbazone and Its Zinc(II) and Nickel(II) Complexes
Yazarlar (5)
Prof. Dr. Fatma Kandemirli Kastamonu Üniversitesi, Türkiye
Doç. Dr. Can Doğan VURDU Kastamonu Üniversitesi, Türkiye
Prof. Dr. Murat Saraçoğlu Erciyes Üniversitesi, Türkiye
Yusuf Akkaya
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | International Research Journal of Pure and Applied Chemistry | ||
| Dergi ISSN | 2231-3443 | ||
| Dergi Tarandığı Indeksler | Index Copernicus, NAAS, Google scholar, US National Library of Medicine (NLM) | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 10-01-2015 |
| Cilt / Sayı / Sayfa | 9 / 1 / 1–16 | DOI | 10.9734/IRJPAC/2015/17626 |
| Makale Linki | http://www.journalirjpac.com/index.php/IRJPAC/article/view/8259 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| The aim of this study is to 1H-Indole-2,3-dione 3-[N-(4-fluorophenyl)-thiosemicarbazone and its zinc(II) and nickel(II) complexes. The structures of the synthesized compounds were confirmed by spectral data and elemental analysis. They were optimized by B3LYP theory with different basis sets. The optimized structures were compared with the experimental values. TD-DFT calculations on electronic absorption spectra in gas phase and DMSO were performed to determine the electronic transitions of the compounds. The Frontier Molecular Orbital analysis were also done in order to identify the charge transfer interaction that takes place between the molecular orbitals. Reaction mechanism of 1H-indole-2,3-dione-3-(N-4-fluorophenyl thiosemicarbazone) molecules were also studied. |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 11 |