%0 Journal Article %1 ISI:000316061400017 %A Sabounchei, Seyyed Javad %A Sarlakifar, Mehdi %A Pourshahbaz, Mahbubeh %A Salehzadeh, Sadegh %A Bayat, Mehdi %A Khavasi, Hamid Reza %A Bagherjeri, Fatemeh Akhlaghi %A Boscovic, Collete %C VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS %D 2013 %I SPRINGER %J JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS %K Phosphorus Theoretical X-Ray characterization; complex; mercury(II) studies} ylide; {Polymeric %N 2 %P 401-408 %R 10.1007/s10904-012-9793-6 %T Structural, Theoretical and Multinuclear NMR Study of a New Polymeric Mercury(II) Complex with an Ambidentate Phosphorus Ylide %V 23 %X The reactions of phosphorus ylides of the type Ph3P=C(H)C(O)R R = 2,4-dichlorophenyl (L (1) ) and 4-isopropylphenyl (L (2) ) with HgX2 X = Cl (1, 4), Br (2, 5) and I (3, 6) salts using methanol as a solvent are reported. Single crystal X-ray analysis carried out on L (1) , 2 and 3 and reveals the presence of a novel polymeric structure for 2 and a centrosymmeteric dimeric structure for 3. The complexes have been studied by elemental analyses, IR, H-1 and P-31 NMR spectroscopy. On the basis of DFT calculations, the formation of Hg2Br6(2-) anions in 2 has a key role in the formation of the polymeric structure; and, the formation of Hg2L2I4 molecule thermodynamically is about 25 kcal/mol more favorable than the corresponding Hg2L2Br4 molecule.

@article{ISI:000316061400017, abstract = {{The reactions of phosphorus ylides of the type Ph3P=C(H)C(O)R {[}R = 2,4-dichlorophenyl (L (1) ) and 4-isopropylphenyl (L (2) )] with HgX2 {[}X = Cl (1, 4), Br (2, 5) and I (3, 6)] salts using methanol as a solvent are reported. Single crystal X-ray analysis carried out on L (1) , 2 and 3 and reveals the presence of a novel polymeric structure for 2 and a centrosymmeteric dimeric structure for 3. The complexes have been studied by elemental analyses, IR, H-1 and P-31 NMR spectroscopy. On the basis of DFT calculations, the formation of {[}Hg2Br6](2-) anions in 2 has a key role in the formation of the polymeric structure; and, the formation of {[}Hg2L2I4] molecule thermodynamically is about 25 kcal/mol more favorable than the corresponding {[}Hg2L2Br4] molecule.}}, added-at = {2017-05-10T15:29:29.000+0200}, address = {{VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}}, affiliation = {{Sabounchei, SJ (Reprint Author), Bu Ali Sina Univ, Fac Chem, Hamadan 65174, Iran. Sabounchei, Seyyed Javad; Sarlakifar, Mehdi; Pourshahbaz, Mahbubeh; Salehzadeh, Sadegh; Bayat, Mehdi; Bagherjeri, Fatemeh Akhlaghi, Bu Ali Sina Univ, Fac Chem, Hamadan 65174, Iran. Khavasi, Hamid Reza, Shahid Beheshti Univ, Dept Chem, GC, Tehran 1983963113, Iran. Boscovic, Collete, Univ Melbourne, Sch Chem, Melbourne, Vic 3010, Australia.}}, author = {Sabounchei, Seyyed Javad and Sarlakifar, Mehdi and Pourshahbaz, Mahbubeh and Salehzadeh, Sadegh and Bayat, Mehdi and Khavasi, Hamid Reza and Bagherjeri, Fatemeh Akhlaghi and Boscovic, Collete}, author-email = {{jsabounchei@yahoo.co.uk}}, biburl = {https://www.bibsonomy.org/bibtex/22fae1e516f9928eb3e468163957b8c4d/hkhavasi}, cited-references = {{Agilent, 2011, CRYSALIS PRO. ALBANESE JA, 1988, INORG CHIM ACTA, V150, P213, DOI 10.1016/S0020-1693(00)90601-7. ALBANESE JA, 1990, INORG CHEM, V29, P2209, DOI 10.1021/ic00337a007. BECKE AD, 1993, J CHEM PHYS, V98, P5648, DOI 10.1063/1.464913. BUCKLE J, 1973, J ORGANOMET CHEM, V49, pC17, DOI 10.1016/S0022-328X(00)84920-7. BUCKLE J, 1972, J CHEM SOC CHEM COMM, P1104, DOI 10.1039/c39720001104. CRISTAU HJ, 1994, CHEM REV, V94, P1299, DOI 10.1021/cr00029a006. Cundari T.R., 1993, J CHEM PHYS, V98, P55. 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Zou KH, 2006, ACTA CRYSTALLOGR E, V62, pO5549, DOI 10.1107/S1600536806046721.}}, doc-delivery-number = {{105IR}}, doi = {{10.1007/s10904-012-9793-6}}, funding-acknowledgement = {{Bu-Ali Sina University}}, funding-text = {{We are grateful to the Bu-Ali Sina University for a Grant and Mr. Zebarjadian for recording the NMR spectra.}}, interhash = {f53df97ec52e0e07e8dfa06282112eba}, intrahash = {2fae1e516f9928eb3e468163957b8c4d}, issn = {{1574-1443}}, journal = {{JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS}}, journal-iso = {{J. Inorg. Organomet. Polym. Mater.}}, keywords = {Phosphorus Theoretical X-Ray characterization; complex; mercury(II) studies} ylide; {Polymeric}, keywords-plus = {{MOLECULAR-STRUCTURE; SILVER(I) COMPLEXES; HALIDES; CRYSTAL; BENZOYLMETHYLENETRIPHENYLPHOSPHORANE; PALLADIUM(II)}}, language = {{English}}, month = {{MAR}}, number = {{2}}, number-of-cited-references = {{33}}, pages = {{401-408}}, publisher = {{SPRINGER}}, research-areas = {{Polymer Science}}, times-cited = {{1}}, timestamp = {2017-05-10T15:29:29.000+0200}, title = {{Structural, Theoretical and Multinuclear NMR Study of a New Polymeric Mercury(II) Complex with an Ambidentate Phosphorus Ylide}}, type = {{Article}}, unique-id = {{ISI:000316061400017}}, usage-count-last-180-days = {{0}}, usage-count-since-2013 = {{4}}, volume = {{23}}, web-of-science-categories = {{Polymer Science}}, year = {{2013}} }