STRUCTURAL CHARACTERIZATION OF TETRAKIS(1,3-DIAZINANE-2-THIONE)CADMIUM(II) SULFATE

cadmium sulfate 1 3-diazinane-2-thione crystal structure.

ЭЛЕКТРОННОЕ СТРОЕНИЕ НА ОСНОВАНИИ УЛЬТРАФИОЛЕТОВЫХ ФОТОЭЛЕКТРОННЫХ СПЕКТРОВ И ТЕОРИИ ФУНКЦИОНАЛА ПЛОТНОСТИ АЗОТСОДЕРЖАЩИХ ВНУТРИКОМПЛЕКСНЫХ СОЕДИНЕНИЙ НИКЕЛЯ(II), РЕНТГЕНОВСКАЯ СПЕКТРОСКОПИЯ КАПСУЛИРОВАННЫХ В УГЛЕРОД НАНОЧАСТИЦ ЖЕЛЕЗА, ...

Том 56, 3 ЖУРНАЛ СТРУКТУРНОЙ ХИМИИ Май – июнь КРАТКИЕ СООБЩЕНИЯ UDC 541.6:547.13:546.48 STRUCTURAL CHARACTERIZATION OF TETRAKIS(1,3-DIAZINANE-2-THIONE)CADMIUM(II) SULFATE R. Mahmood1, S.G. Hussain2, A.A. Isab3, M. Fettouhi3 , A. Fazal4, S. Ahmad2 1Department of Chemistry, University of Azad Jammu and Kashmir, Chela Campus, Muzaffarabad, Pakistan 2Department of Chemistry, University of Engineering and Technology, Lahore, Pakistan 3 E-mail: saeed_a786@hotmail.com 4Department of Chemistry, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia Center of Research Excellence in Petroleum Refining and Petrochemicals, Research Institute, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia Received October, 31, 2013 A cadmium(II) complex tetrakis(1,3-diazinane-2-thione)cadmium(II) sulfate [Cd(Diaz)4]SO4 (1) is prepared and its crystal structure is determined by X-ray crystallography. <...> In the complex ion, the central cadmium atom is coordinated by four Diaz molecules through sulfur atoms adopting a distorted tetrahedral geometry. <...> The molecular structure is stabilized by N—H…O and N—H…S hydrogen bonding interactions. <...> The complex is also characterized by IR and NMR spectroscopy and the spectroscopic data are discussed in terms of the nature of bonding. <...> In recent years, considerable research efforts have been devoted to the structural characterization of cadmium(II) complexes of thioamides [ 1—22] because of their applications in biological systems [ 23, 24 ], in analytical chemistry [ 25, 26 ], in environmental toxicology [ 27 ], and as precursors for the preparation of CdS nanoparticles [ 28—30]. <...> These structural reports describe that in most of the cases, cadmium(II) complexes exist as neutral monomeric [ 3—16] or polymeric [ 17—19] molecules of the general formula [CdL2X2] with the cadmium atom possessing a tetrahedral or distorted octahedral coordination environment respectively. <...> In view of our continued interest in the structural chemistry of cadmium(II) complexes with thiones [ 1—10], we report here the synthesis and crystal structure of a cadmium(II) complex of the heterocyclic ligand 1,3-diazinane-2-thione (3,4,5,6-tetrahydropyrimidine), [Cd(Diaz)4]SO4. <...> The single crystal data collection for complex 1 was performed at 294 K on a Bruker-Axs <...>

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