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Issue 23, 2015
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Triphenyltin(IV) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations

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Abstract

Some triphenyltin(IV) adducts with a family of diphosphoryl ligands, RR′P(O)–X–P(O)RR′ (R = OPh, Ph, R′ = R, An (aniline)) and X = 1,4-OC6H4O, 1,4-OC6H4NH, 1,4-NHC6H4NH 1,4-(NHCH2)2C6H4, 1,3-(NHCH2)2C6H4 and piperazine have been synthesized and characterized by IR and NMR spectroscopy. X-Ray crystallography reveals that the structure of these complexes comprises a binuclear arrangement with two SnPh3Cl moieties linked via the bridging P(O)–X–P(O) ligands. The influence of the ligand structures on the organization of the crystal structures and the coordination interactions are discussed. Studies of the crystal packing reveal NH⋯Cl, CH⋯Cl or CH⋯O hydrogen bonding interactions, as a function of the X or R groups, to be the main factor controlling the supramolecular architecture in this series of complexes. Based on the results from quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses, Sn–ligand interactions are found to be mainly electrostatic (donor–acceptor-like with charge transfer from the phosphoryl donors to the tin atoms). The stronger coordination bonds are found in the complexes containing Ph substituents with aliphatic spacers, in agreement with the experimental evidence. Binuclear arrangements instead of polymeric or chelating systems may be attributed to the steric demands of SnPh3Cl, regardless of the ligand structures.

Graphical abstract: Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations

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Publication details

The article was received on 22 Oct 2014, accepted on 28 Jan 2015 and first published on 09 Feb 2015


Article type: Paper
DOI: 10.1039/C4RA12925C
Citation: RSC Adv., 2015,5, 17482-17492
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    Triphenyltin(IV) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations

    K. Gholivand, A. Gholami, A. A. V. Ebrahimi, S. T. Abolghasemi, M. D. Esrafili, F. T. Fadaei and K. J. Schenk, RSC Adv., 2015, 5, 17482
    DOI: 10.1039/C4RA12925C

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