%0 Journal Article %1 ISI:000256609900002 %A Khavasi, Hamid Reza %A Abedi, Anita %A Amani, Vahid %A Notash, Behrouz %A Safari, Nasser %C THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND %D 2008 %I PERGAMON-ELSEVIER SCIENCE LTD %J POLYHEDRON %K 2,2 `-bithiazole; `-dimethyl-4,4 ab crystal initio mercury; methods} structure; {zinc; %N 7 %P 1848-1854 %R 10.1016/j.poly.2008.02.029 %T Synthesis, characterization and crystal structure determination of zinc (II) and mercury (II) complexes with 2,2 `-dimethyl-4,4 `-bithiazole %V 27 %X The 2,2'-dimethyl-4,4'-bithiazole ligand (1), (dm4bt), and its Zn and Hg complexes have been prepared. A conformational property calculation at the DFT level for the ligand shows the anti conformation is energetically more stable by about 22.83 kJ/mol and the rotational barrier is about 32.01 kJ/mol for. the anti --> syn conversion, a phenomena happening during complex formation. The complexes Zn(dm4bt)Cl(2) (2) and Hg(dm4bt)Cl(2)(3) have spectral properties typical for d(10) metal diimine systems. The structures of the ligand and the two complexes have been determined by the single crystal diffraction method. The X-ray structure determinations show that both complexes are four coordinated by two chloride atoms and one bidentate. dm4bt. In the Hg complex one of the two chlorides is set at a semi-bridging position. (C) 2008 Published by Elsevier Ltd.

@article{ISI:000256609900002, abstract = {{The 2,2'-dimethyl-4,4'-bithiazole ligand (1), (dm4bt), and its Zn and Hg complexes have been prepared. A conformational property calculation at the DFT level for the ligand shows the anti conformation is energetically more stable by about 22.83 kJ/mol and the rotational barrier is about 32.01 kJ/mol for. the anti --> syn conversion, a phenomena happening during complex formation. The complexes {[}Zn(dm4bt)Cl(2)] (2) and {[}Hg(dm4bt)Cl(2)](3) have spectral properties typical for d(10) metal diimine systems. The structures of the ligand and the two complexes have been determined by the single crystal diffraction method. The X-ray structure determinations show that both complexes are four coordinated by two chloride atoms and one bidentate. dm4bt. In the Hg complex one of the two chlorides is set at a semi-bridging position. (C) 2008 Published by Elsevier Ltd.}}, added-at = {2017-05-10T15:29:29.000+0200}, address = {{THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}}, affiliation = {{Khavasi, HR (Reprint Author), Shahid Beheshti Univ Med Sci, Dept Chem, Tehran 1983963113, Iran. Khavasi, Hamid Reza; Notash, Behrouz; Safari, Nasser, Shahid Beheshti Univ Med Sci, Dept Chem, Tehran 1983963113, Iran. Abedi, Anita, Islamic Azad Univ, N Tehran Branch, Dept Chem, Tehran, Iran. Amani, Vahid, Res Inst Educ, Tehran, Iran.}}, author = {Khavasi, Hamid Reza and Abedi, Anita and Amani, Vahid and Notash, Behrouz and Safari, Nasser}, author-email = {{n-safari@cc.sbu.ac.ir}}, biburl = {https://www.bibsonomy.org/bibtex/2d08d90e444e1fe90be8a1826a1af81d7/hkhavasi}, cited-references = {{Ahankar H, 2006, J COORD CHEM, V59, P2039, DOI 10.1080/00958970600737973. Amani V, 2007, POLYHEDRON, V26, P4257, DOI 10.1016/j.poly.2007.05.050. ANTHOLINE WE, 1981, P NATL ACAD SCI-BIOL, V78, P7517, DOI 10.1073/pnas.78.12.7517. 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Wu W, 1996, J AM CHEM SOC, V118, P1281, DOI 10.1021/ja952497w. {[}Anonymous], 1995, INT TABLES XRAY CRYS, VC.}}, doc-delivery-number = {{311OQ}}, doi = {{10.1016/j.poly.2008.02.029}}, interhash = {73ae6a270330e964057f7ca491a02b4e}, intrahash = {d08d90e444e1fe90be8a1826a1af81d7}, issn = {{0277-5387}}, journal = {{POLYHEDRON}}, journal-iso = {{Polyhedron}}, keywords = {2,2 `-bithiazole; `-dimethyl-4,4 ab crystal initio mercury; methods} structure; {zinc;}, keywords-plus = {{TUMOR-INHIBITING PROPERTIES; MAGNETIC-PROPERTIES; CADMIUM(II) COMPLEXES; MOLECULAR-STRUCTURE; BLEOMYCIN A2; ZN-II; CHEMISTRY; DENSITY; LIGAND; DNA}}, language = {{English}}, month = {{MAY 20}}, number = {{7}}, number-of-cited-references = {{49}}, orcid-numbers = {{, Anita/0000-0001-7562-6241}}, pages = {{1848-1854}}, publisher = {{PERGAMON-ELSEVIER SCIENCE LTD}}, research-areas = {{Chemistry; Crystallography}}, times-cited = {{43}}, timestamp = {2017-05-10T15:29:29.000+0200}, title = {{Synthesis, characterization and crystal structure determination of zinc (II) and mercury (II) complexes with 2,2 `-dimethyl-4,4 `-bithiazole}}, type = {{Article}}, unique-id = {{ISI:000256609900002}}, usage-count-last-180-days = {{0}}, usage-count-since-2013 = {{1}}, volume = {{27}}, web-of-science-categories = {{Chemistry, Inorganic \& Nuclear; Crystallography}}, year = {{2008}} }