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  4. Triphenyltin(IV) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations
 
research article

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

Gholivand, K.
•
Gholami, A.
•
Ebrahimi, A. A. V.
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2015
Rsc Advances

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)(2)C6H4, 1,3-(NHCH2)(2)C6H4 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 center dot center dot center dot Cl, CH center dot center dot center dot Cl or CH center dot center dot center dot 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.

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Type
research article
DOI
10.1039/c4ra12925c
Web of Science ID

WOS:000349557400016

Author(s)
Gholivand, K.
Gholami, A.
Ebrahimi, A. A. V.
Abolghasemi, S. T.
Esrafili, M. D.
Fadaei, F. T.  
Schenk, K. J.  
Date Issued

2015

Publisher

Royal Soc Chemistry

Published in
Rsc Advances
Volume

5

Issue

23

Start page

17482

End page

17492

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
IPSB  
Available on Infoscience
April 13, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/113285
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