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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

Interaction between threonine and cadmium cation in [Cd(Thr) n ]2+ (n = 1-3) complexes: Density functional calculations      
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Islamic Azad University, Qom Branch, İran
Devamını Göster
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 yayınlanan 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
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
WoS 53
SCOPUS 90
Google Scholar 74
Interaction between threonine and cadmium cation in [Cd(Thr) n ]2+ (n = 1-3) complexes: Density functional calculations

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