Interaction between threonine and cadmium cation in [Cd(Thr)<sub>n</sub>]<SUP>2+</SUP> (n = 1-3) complexes: density functional calculations

MONAJJEMI, Majıd; Baie, M. T.; MOLLAAMIN, Fatemeh

doi:10.1007/s11172-010-0181-5

Interaction between threonine and cadmium cation in [Cd(Thr)_n]²⁺ (n = 1-3) complexes: density functional calculations

Yazarlar (3)

Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran

M. T. Baie Islamic Azad University, İran

Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran

Makale Türü	Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı	Russian Chemical Bulletin
Dergi ISSN	1066-5285 Wos Dergi Scopus Dergi
Makale Dili	İngilizce	Basım Tarihi	05-2010
Cilt / Sayı / Sayfa	59 / 5 / 886–889	DOI	10.1007/s11172-010-0181-5
Makale Linki	http://www.scopus.com/inward/record.url?eid=2-s2.0-78650096622&partnerID=MN8TOARS

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

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BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Web of Science	53
Scopus	91

Interaction between threonine and cadmium cation in [Cd(Thr)_n]²⁺ (n = 1-3) complexes: density functional calculations

Dergi Adı	RUSSIAN CHEMICAL BULLETIN
Yayıncı	Springer New York
Açık Erişim	Hayır
ISSN	1066-5285
E-ISSN	1573-9171
CiteScore	2,8
SJR	0,305
SNIP	0,622

Interaction between threonine and cadmium cation in [Cd(Thr)n]2+ (n = 1-3) complexes: density functional calculations

Paylaş

Interaction between threonine and cadmium cation in [Cd(Thr)_n]²⁺ (n = 1-3) complexes: density functional calculations