Synthesis, structural determination, theoretical studies and catalytic activity of Mn(II) complex of N -isonicotinyl phosphoric triamide ligand
作者: Maryam RajabiKhodayar GholivandRasool SalamiForoogh MolaeiJérôme ThibonnetKarim ZareFarzaneh Fadaei TiraniKurt J. Schenk
作者单位: 1Department of Chemistry, Science and Research Branch, Islamic Azad University, P.O. Box 14515-775, Tehran, Iran
2Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran
3Université François Rabelais, Département de Chimie, 32 Avenue Monge, 37200 Tours, France
4CCC-IPSB, École Polytechnique Fédérale de Lausanne, Le Cubotron, Dorigny, CH-1015 Lausanne, Switzerland
刊名: Inorganica Chimica Acta, 2015, Vol.432 , pp.149-157
来源数据库: Elsevier Journal
DOI: 10.1016/j.ica.2015.04.005
关键词: Mn(II) complexPhosphoric triamideCrystal structureDFT calculationsEpoxidation
英文摘要: Abstract(#br)A new N -isonicotinyl phosphoric triamide ligand with the formula 4-NC 5 H 4 C(O)NHP(O)(NC 4 H 8 ) 2 ( L ) was synthesized and characterized by 1 H, 13 C, 31 P NMR and IR spectroscopies. The reaction of MnCl 2 ·4H 2 O with L led to the formation of a new 3D system {Mn L 2 Cl 2 } n ·34CH 3 OH ( C 1 ). X-ray crystallographic data revealed that the ligand binds to the neighboring manganese ions through the nitrogen atom of pyridine (N py ) and the oxygen atom of phosphoryl (O P ) in a bidentate manner. The Mn(II) centers showed a distorted cis (N py , N py ) cis (O P , O P ) cis (Cl, Cl) octahedral configuration. In order to compare the relative stability of C 1 (with all-cis configuration) and its possible all-trans isomer, C′ 1 , density functional theory (DFT) calculations...
全文获取路径: Elsevier  (合作)
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影响因子:1.687 (2012)

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