000207401 001__ 207401
000207401 005__ 20181203023836.0
000207401 0247_ $$2doi$$a10.1039/c4ra12925c
000207401 022__ $$a2046-2069
000207401 02470 $$2ISI$$a000349557400016
000207401 037__ $$aARTICLE
000207401 245__ $$aTriphenyltin(IV) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations
000207401 260__ $$bRoyal Soc Chemistry$$c2015$$aCambridge
000207401 269__ $$a2015
000207401 300__ $$a11
000207401 336__ $$aJournal Articles
000207401 520__ $$aSome 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.
000207401 700__ $$uTarbiat Modares Univ, Fac Basic Sci, Dept Chem, Tehran, Iran$$aGholivand, K.
000207401 700__ $$uTarbiat Modares Univ, Fac Basic Sci, Dept Chem, Tehran, Iran$$aGholami, A.
000207401 700__ $$uTarbiat Modares Univ, Fac Basic Sci, Dept Chem, Tehran, Iran$$aEbrahimi, A. A. V.
000207401 700__ $$uTarbiat Modares Univ, Fac Basic Sci, Dept Chem, Tehran, Iran$$aAbolghasemi, S. T.
000207401 700__ $$uUniv Maragheh, Dept Chem, Lab Theoret Chem, Maragheh, Iran$$aEsrafili, M. D.
000207401 700__ $$0246466$$g224698$$aFadaei, F. T.
000207401 700__ $$aSchenk, K. J.$$g153052$$0241567
000207401 773__ $$j5$$tRsc Advances$$k23$$q17482-17492
000207401 909C0 $$0252442$$pIPSB$$xU11993
000207401 909CO $$particle$$ooai:infoscience.tind.io:207401
000207401 937__ $$aEPFL-ARTICLE-207401
000207401 973__ $$rREVIEWED$$sPUBLISHED$$aEPFL
000207401 980__ $$aARTICLE