%0 Journal Article %1 ISI:000271838100007 %A Salimi, Ali R. %A Mirzaei, Masoud %A Chahkandi, Mohammad %A Azadmeher, Amirreza %A Eshtiagh-Hosseini, Hossein %A Khavasi, Hamid R. %A Amini, Mostafa M. %C PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS %D 2009 %I ELSEVIER SCIENCE BV %J JOURNAL OF MOLECULAR STRUCTURE %K Hydrogen Theoretical X-ray bonding; calculations} complex; crystal structure; {Triorganotin %N 1-3 %P 44-49 %R 10.1016/j.molstruc.2009.08.010 %T Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol %V 937 %X In this paper, we have reported adduct complex structure of triphenyltin(IV) chloride and pyridine-2-ethanol as a novel triorganotin complex, which was prepared by the reaction of Ph(3)SnCl with pyridine-2-ethanol. The complex was characterized by elemental analysis, mass spectrometry, and IR, (1)H, (13)C and (119)Sn NMR spectroscopies. The molecular structure was determined by single crystal X-ray analysis. Complex adapts trigonal-bipyramidal geometry with trigonality index tau = 0.88; the phenyl substituents on tin occupying the equatorial positions and the oxygen and chlorine atoms taking up the axial positions. DFT calculations of adduct complex compound of triphenyltin(IV) chloride and pyridine-2-ethanol ligand as a monomeric and dimeric forms at the B3LYP/6-31G (d, p) level using effective core potential with consideration of relativistic effects for stannous have been performed. Theoretical investigation of dimeric form of complex, which exists in the crystal structure. shows the stabilization role of intermolecular hydrogen bonding in this system. (C) 2009 Elsevier B.V. All rights reserved.

@article{ISI:000271838100007, abstract = {{In this paper, we have reported adduct complex structure of triphenyltin(IV) chloride and pyridine-2-ethanol as a novel triorganotin complex, which was prepared by the reaction of Ph(3)SnCl with pyridine-2-ethanol. The complex was characterized by elemental analysis, mass spectrometry, and IR, (1)H, (13)C and (119)Sn NMR spectroscopies. The molecular structure was determined by single crystal X-ray analysis. Complex adapts trigonal-bipyramidal geometry with trigonality index tau = 0.88; the phenyl substituents on tin occupying the equatorial positions and the oxygen and chlorine atoms taking up the axial positions. DFT calculations of adduct complex compound of triphenyltin(IV) chloride and pyridine-2-ethanol ligand as a monomeric and dimeric forms at the B3LYP/6-31G (d, p) level using effective core potential with consideration of relativistic effects for stannous have been performed. Theoretical investigation of dimeric form of complex, which exists in the crystal structure. shows the stabilization role of intermolecular hydrogen bonding in this system. (C) 2009 Elsevier B.V. All rights reserved.}}, added-at = {2017-05-10T15:29:29.000+0200}, address = {{PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}}, affiliation = {{Amini, MM (Reprint Author), Shahid Beheshti Univ, Dept Chem, GC, Tehran 1983963113, Iran. Azadmeher, Amirreza; Khavasi, Hamid R.; Amini, Mostafa M., Shahid Beheshti Univ, Dept Chem, GC, Tehran 1983963113, Iran. Salimi, Ali R.; Mirzaei, Masoud; Chahkandi, Mohammad; Eshtiagh-Hosseini, Hossein, Ferdowsi Univ Mashhad, Sch Sci, Dept Chem, Mashhad 917791436, Iran.}}, author = {Salimi, Ali R. and Mirzaei, Masoud and Chahkandi, Mohammad and Azadmeher, Amirreza and Eshtiagh-Hosseini, Hossein and Khavasi, Hamid R. and Amini, Mostafa M.}, author-email = {{m-pouramini@cc.sbu.ac.ir}}, biburl = {https://www.bibsonomy.org/bibtex/21607ca4b1ca214369233878b654183f8/hkhavasi}, cited-references = {{ADDISON AW, 1984, J CHEM SOC DALTON, P1349, DOI 10.1039/dt9840001349. Amini MM, 2006, J INCL PHENOM MACRO, V54, P77, DOI 10.1007/s10847-005-4560-8. AMINI MM, 1984, J AM CHEM SOC, V106, P7289, DOI 10.1021/ja00335a095. Amini MM, 2007, J ORGANOMET CHEM, V692, P3922, DOI 10.1016/j.jorganchem.2007.05.049. Beckmann J, 2001, J ORGANOMET CHEM, V626, P49, DOI 10.1016/S0022-328X(01)00657-X. Bokii N. G., 1970, J STRUCT CHEM, V11, P828, DOI DOI 10.1007/BF00743390. Dakternieks D, 2003, ORGANOMETALLICS, V22, P4599, DOI 10.1021/om0340140. Davies AG, 2008, TIN CHEM FUNDAMENTAL. Frisch M. J., 1998, GAUSSIAN 98 REVISION. Gielen M, 2002, APPL ORGANOMET CHEM, V16, P481, DOI 10.1002/aoc.331. Gielen M., 2005, METALLOTHERAPEUTIC D, DOI 10.1002/0470864052. Jeffrey G. A., 1997, INTRO HYDROGEN BONDI. Korth HG, 2002, J PHYS CHEM A, V106, P8779, DOI 10.1021/jp025713d. LOCKHART TP, 1986, INORG CHEM, V25, P892, DOI 10.1021/ic00227a002. Meyer M, 2001, J PHYS CHEM A, V105, P8223, DOI 10.1021/jp011179i. SANDHU GK, 1989, J ORGANOMET CHEM, V365, P215, DOI 10.1016/0022-328X(89)87022-6. Scheiner S., 1997, HYDROGEN BONDING THE. Sheldrick G.M., 1997, SHELX97 PROGRAM CRYS. SMITH PJ, 1978, NMR SPECTROSC, V8, P291. STEPHENS PJ, 1994, J PHYS CHEM-US, V98, P11623, DOI 10.1021/j100096a001. Stoe \& Cie, 2004, X SHAPE VERS 2 05 PR. Stoe \& Cie, 2005, X AREA VERS 1 30 PRO. Stoe \& Cie, 2000, X STEP32 VERS 1 07B. {*}STOE CIE, 2005, X AREA VERS 1 28 PRO. {[}Anonymous], 1995, INT TABLES XRAY CRYS, VC.}}, doc-delivery-number = {{520IS}}, doi = {{10.1016/j.molstruc.2009.08.010}}, funding-acknowledgement = {{Ferdowsi University of Mashhad; Shahid Behehsti University}}, funding-text = {{We thank Ferdowsi University of Mashhad and Shahid Behehsti University for supporting this work.}}, interhash = {ee6b460881fd4c85c6645da1c7804189}, intrahash = {1607ca4b1ca214369233878b654183f8}, issn = {{0022-2860}}, journal = {{JOURNAL OF MOLECULAR STRUCTURE}}, journal-iso = {{J. Mol. Struct.}}, keywords = {Hydrogen Theoretical X-ray bonding; calculations} complex; crystal structure; {Triorganotin}, keywords-plus = {{MOLECULAR-STRUCTURE; HYDROGEN-BONDS; CRYSTAL; SPECTROSCOPY; SPECTRA}}, language = {{English}}, month = {{NOV 26}}, number = {{1-3}}, number-of-cited-references = {{25}}, orcid-numbers = {{Mirzaei, Masoud/0000-0002-7256-4601 Salimi, Alireza/0000-0003-0413-2185 Eshtiagh-Hosseini, Hossein/0000-0001-6528-7207}}, pages = {{44-49}}, publisher = {{ELSEVIER SCIENCE BV}}, research-areas = {{Chemistry}}, researcherid-numbers = {{Mirzaei, Masoud/L-8488-2013 Salimi, Alireza/A-3942-2017 }}, times-cited = {{5}}, timestamp = {2017-05-10T15:29:29.000+0200}, title = {{Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol}}, type = {{Article}}, unique-id = {{ISI:000271838100007}}, usage-count-last-180-days = {{1}}, usage-count-since-2013 = {{1}}, volume = {{937}}, web-of-science-categories = {{Chemistry, Physical}}, year = {{2009}} }