Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes

Jia Yu-Xiang; Yang Xiang-Yuan; Tay Wee Shan; Li Yongxin; Pullarkat Sumod A.; Xu Kai; Hirao Hajime; Leung Pak-Hing

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Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes

机译：P-C-P夹钳复合物中Pt-C键的计算和碳13 NMR研究

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A C-13{H-1} NMR based investigation was conducted to examine the electronic properties of C(aryl)-M bonds and their trans influence in P-C(aryl)-P pincer complexes. A series of structurally related platinum pincer complexes were rationally designed and their corresponding C-13-Pt-195 coupling constants were systematically examined. By methodical substitution of the ligand trans to the organometallic C(aryl)-Pt bond, this study revealed the significant influence of the ligands on the nature of the C(aryl)-M bonds. The single crystal X-ray analysis of the complexes and computational studies further confirmed the observations that the C-M bond exhibits significant pi-character.

机译：进行了基于C-13 {H-1} NMR的研究，以检查C（芳基）-M键的电子性质以及它们在P-C（芳基）-P夹杂物中的反式影响。合理设计了一系列结构相关的铂钳配合物，并系统地研究了其相应的C-13-Pt-195偶联常数。通过系统地将配体反式取代为有机金属C（芳基）-Pt键，这项研究揭示了配体对C（芳基）-M键性质的重大影响。配合物的单晶X射线分析和计算研究进一步证实了C-M键具有显着的pi特性的观察结果。

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《Dalton transactions: An international journal of inorganic chemistry》 |2016年第5期|共7页
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Jia Yu-Xiang; Yang Xiang-Yuan; Tay Wee Shan; Li Yongxin; Pullarkat Sumod A.; Xu Kai; Hirao Hajime; Leung Pak-Hing;
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1. Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes [J] . Jia Yu-Xiang, Yang Xiang-Yuan, Tay Wee Shan, Dalton transactions: An international journal of inorganic chemistry . 2016,第5期

机译：P-C-P夹钳复合物中Pt-C键的计算和碳13 NMR研究
2. Addition of C–C and C–H bonds by pincer-iridium complexes: a combined experimental and computational study [J] . David A. Laviska, Changjian Guan, Thomas J. Emge, Dalton transactions: An international journal of inorganic chemistry . 2014,第43期

机译：钳铱复合物添加C–C和C–H键：结合实验和计算研究
3. Addition of C–C and C–H bonds by pincer-iridium complexes: a combined experimental and computational study [J] . David A. Laviska, Changjian Guan, Thomas J. Emge, Dalton transactions: An international journal of inorganic chemistry . 2014,第43期

机译：钳铱复合物添加C–C和C–H键：结合实验和计算研究
4. A Carbon-13 NMR Study of Carbon Dioxide Absorption and Desorption with Aqueous Amine Solutions [C] . Qi Yang, Mark Bown, Abdelselam Ali, GHGT-9 . 2009

机译：碳-13碳二氧化碳吸收与胺溶液解吸研究
5. 1- and 2-dimensional proton, carbon-13, and platinum-195 NMR studies of platinum(EDTA) dichloride in heavy water solution and structural characterization of several iron(III) tris(2-pyridylmethyl)amine complexes. [D] . Mullaney, Matthew. 1996

机译：重水溶液中二氯化铂（EDTA）的一维和二维质子，碳13和铂-195 NMR研究以及几种铁（III）三（2-吡啶基甲基）胺络合物的结构表征。
6. C–H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study [O] . Bo Fang, Lei Zhang, Guohua Hou, 2015

机译：or金属环丙烯配合物诱导的C–H键活化：结合实验和计算研究
7. 13C NMR Shifts as an Indicator of UC Bond Covalency in Uranium(VI) Acetylide Complexes: An Experimental and Computational Study [O] . -1

机译：13C NMR作为铀（VI）乙炔复合物中的UC键共算价的指示：实验和计算研究
8. The Kinetics of Dissociations of Aluminum - Oxygen Bonds in Aqueous Complexes - An NMR Study [R] . 2003

机译：水 - 配合物中铝 - 氧键解离动力学 - 核磁共振研究

Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes

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