Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/33901
Title: Structural variations and chemical bonding in platinum complexes of Group 14 heavier tetrylene homologues (germylene to plumbylene)
Authors: Nhung, Nguyen Thi Ai
Loan, Huynh Thi Phuong
Quang, Duong Tuan
Sy, Tran Duc
Hiep, Dang Tan
Keywords: Theoretical chemistry;Density functional calculations;Bonding analysis;Carbenes;Germylenes;Stannylenes;Plumbylenes;Platinum
Issue Date: 20-Mar-2016
Publisher: NISCAIR-CSIR, India
Abstract: The structures of Pt(II) complexes containing the heavier homologues of germylene, stannylene, and plumbylene [PtCl2-{NHEMe}] (Pt-NHE) with E = Ge to Pb, in which the ligand {NHEMe} retains one lone pair at the E central atom, have been computed using density functional theory calculations at the BP86 level with def2-SVP, def2-TZVPP, and TZ2P+ basis sets. The bonding of the complexes has been analyzed by charge and energy decomposition analysis methods. The results of bonding analysis show that NHEMe ligands exhibit donor-acceptor bonds with the lone pair electrons of heavier NHEMe donated into the vacant orbital of the metal fragment, and the Pt-E bonds having PtCl2←NHEMe strong -donation. The divalent heavier tetrylenes(II) have the same role as the divalent heavier tetrylones(0) character since the ligand can retain the two lone pairs at E atom. Currently experimental efforts are directed towards the synthesis of tetrylenes Pt(II) complexes from natural products. Hence, the results in this study will provide an insight into the properties and chemical bonding of complexes being synthesised.
Page(s): 269-276
URI: http://hdl.handle.net/123456789/33901
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.55A(03) [March 2016]

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