| Yazarlar (1) |
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye |
| Özet |
| Structures corresponding to energy minima and the binding of cadmium cation to threonine (Thr) in model systems [Cd(Thr) n]2+ (n = 1-3) were studied theoretically. Quantum chemical computations were performed within the framework of the density functional theory using the B3LYP, BLYP, and P functionals. In the optimized structures of the complexes [CdThr] 2+ and [Cd(Thr)2]2+, threonine acts as a bidentate ligand and cadmium binds to oxygen atoms of carbonyl and hydroxyl groups with the formation of one and two six-mem- bered rings, respectively. In the complex [Cd(Thr)3]2+, cadmium binds to three nitrogen atoms and three oxygen atoms of carbonyl groups in three Thr molecules to form three five-mem- bered rings. © 2010 Springer Science+Business Media, Inc. |
| Anahtar Kelimeler |
| cadmium | cation | density functional theory | quantum chemical calculations | threonine |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SCOPUS dergilerinde yayımlanan tam makale |
| Dergi Adı | Russian Chemical Bulletin |
| Dergi ISSN | 1066-5285 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 05-2010 |
| Cilt No | 59 |
| Sayı | 5 |
| Sayfalar | 886 / 889 |
| Doi Numarası | 10.1007/s11172-010-0181-5 |
| Makale Linki | http://dx.doi.org/10.1007/s11172-010-0181-5 |
| Atıf Sayıları | |
| WoS | 50 |
| SCOPUS | 85 |
| Google Scholar | 71 |
