Synthesis, Structural Characterization, and Theoretical Studies of Silver(I) Complexes of Dihydrobis(2-mercapto-benzothiazolyl) Borate

Abstract : The complexes [Ag{kappa(3)-S,S ',H-H2B(mbz)(2)}(PR3)](x), (1 x = 2, R = Ph; 2 x = 1, R = Cy) (mbz = 2-mercaptobenzothiazolyl) and amidine based dihydro(2-mercaptobenzo-thiazolyl) borates, [HN=C(Ph)-NH(R)-H2B(mbz)] (3 R = 2,6-diisopropylphenyl and 4 R = Ph) were synthesized and characterized by various spectroscopic methods and single-crystal X-ray crystallography. Complex [Ag{kappa(3)-S,S ',H-H2B(mbz)(2)}(PPh3)](2) (1) has a dimeric structure in its crystalline state, in which central silver(I) atoms adopt a distorted trigonal bipyramid arrangement. In contrast, complex [Ag{kappa(3)-S,S ',H-H2B(mbz)(2)}(PCy3)] (2) has a monomeric structure in its crystalline state, in which the central silver(I) atoms adopt a distorted trigonal planar arrangement. Infrared spectroscopy was utilized as a tool for investigating the presence of M center dot center dot center dot H-B interactions. In addition, density functional theory (DFT) calculations were used to analyse the B-H center dot center dot center dot[M] bonding interaction in the metal borate complexes.
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Submitted on : Tuesday, April 30, 2019 - 2:22:30 PM
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Suman Gomosta, Rongala Ramalakshmi, Chinnappa Arivazhagan, Anagha Haridas, Beesam Raghavendra, et al.. Synthesis, Structural Characterization, and Theoretical Studies of Silver(I) Complexes of Dihydrobis(2-mercapto-benzothiazolyl) Borate. Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, Wiley-VCH Verlag, 2019, 645 (6-7), pp.588-594. ⟨10.1002/zaac.201800492⟩. ⟨hal-02115715⟩

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