A theoretical insight for solvent effect on myoglobin assay of W CO 4L2 type novel complexes with DFT TDDFT
Yazarlar (7)
Prof. Dr. Elvan Üstün Ordu Üniversitesi, Türkiye
Serpil Demi̇R
Inönü Üniversitesi, Türkiye
Inönü Üniversitesi, Türkiye
Feyzullah Coşkun
Inönü Üniversitesi, Türkiye
Inönü Üniversitesi, Türkiye
Prof. Dr. Murat Kaloğlu Inönü Üniversitesi, Türkiye
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Orhan Büyükgüngör
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
Ismail Özdemi̇R Inönü Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2016) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 11-2016 |
| Cilt / Sayı / Sayfa | 1123 / 1 / 433–440 | DOI | 10.1016/j.molstruc.2016.07.002 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022286016306731 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| Novel tetracarbonyl complexes of type W(CO)4L2 (L: 4-chlorobenzylimidazoline; 4-methylbenzylimidazoline; 3,5-dimethylbenzylimidazoline; 2,4,6-trimethylbenzylimidazoline; 2,3,5,6- tetramethylbenzylimidazoline) were synthesized. Then newly synthesized novel compounds were characterized by IR, 1H NMR, 13C NMR and LC-MS. The characterizations of two of the complexes have also been confirmed with single crystal X-Ray diffraction and DFT optimization results of these complexes have been compared with single crystal results. We have investigated the solvent effect on the structure and metal-to-ligand charge transfer (MLCT) transitions with DFT/TDDFT calculations with ORCA package program with BP86 functional. |
| Anahtar Kelimeler |
| CO-releasing molecules | DFT/TDDFT | Imidazoline | PhotoCORMs | Tungsten carbonyl complexes |
Science Direct
A theoretical insight for solvent effect on myoglobin assay of W CO 4L2 type novel complexes with DFT TDDFT
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 10 |
| Scopus | 8 |
| Google Scholar | 16 |