Electronic structures of cyclometalated palladium complexes in the higher oxidation states

Nguyen Bao N.; Adrio Luis A.; Albrecht Tim; White Andrew J. P.; Newton Mark A.; Nachtegaal Maarten; Figueroa Santiago J. A.; Hii King Kuok (Mimi)

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Electronic structures of cyclometalated palladium complexes in the higher oxidation states

机译：较高氧化态的环金属化钯配合物的电子结构

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The electronic and redox properties of a series of cyclometalated Pd complexes with oxidation states of +2, +3 and +4 were examined using a range of currently available spectroscopic and electrochemical techniques. Changes in metal-ligand bond lengths were established by X-ray crystallography and correctly predicted by DFT calculations, from which the frontier orbitals and partial atomic charges can be obtained. X-ray absorption spectroscopy (XAS) revealed interesting XANES features that suggest a synergistic relationship between metal-ligand interactions. The electrochemical study of the Pd(II) dimer was found to contain two sequential oxidative potentials indicative of a weak metal-metal interaction.

机译：使用一系列当前可用的光谱和电化学技术检查了氧化态为+ 2，+ 3和+4的一系列环金属化Pd配合物的电子和氧化还原性质。通过X射线晶体学确定金属-配体键长的变化，并通过DFT计算正确预测，由此可以得到前沿轨道和部分原子电荷。 X射线吸收光谱（XAS）显示了有趣的XANES功能，表明金属-配体相互作用之间存在协同关系。发现Pd（II）二聚体的电化学研究包含两个顺序的氧化电位，表明金属与金属之间的相互作用较弱。

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《Dalton transactions: An international journal of inorganic chemistry》 |2015年第37期|共6页
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Nguyen Bao N.; Adrio Luis A.; Albrecht Tim; White Andrew J. P.; Newton Mark A.; Nachtegaal Maarten; Figueroa Santiago J. A.; Hii King Kuok (Mimi);
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1. Electronic structures of cyclometalated palladium complexes in the higher oxidation states [J] . Nguyen Bao N., Adrio Luis A., Albrecht Tim, Dalton transactions: An international journal of inorganic chemistry . 2015,第37期

机译：较高氧化态的环金属化钯配合物的电子结构
2. New tridentate cyclometalated platinum(II)and palladium(II)complexes of N,2-diphenyl-8-quinolinamine:syntheses,crystal structures,and photophysical properties [J] . Lisheng Mao, Toshiyuki Moriuchi, Hidehiro Sakurai, Tetrahedron letters: The International Journal for the Rapid Publication of Preliminary Communications in Organic Chemistry . 2005,第48期

机译：N，2-二苯基-8-喹啉胺的新型三齿环金属化铂（II）和钯（II）配合物：合成，晶体结构和光物理性质
3. Syntheses and structures of new luminescent cyclometalated palladium(II) and platinum(II) complexes: M(Bab)Cl, M(Br-Bab)Cl (M = Pd(II), Pt(II)), and Pd3Cl4(Tab)(2) (Bab=1,3-bis-,(7-azaindolyl)phenyl, Br-BaB=1-bromo-3,5-bis(7-azaindolyl)phenyl, Tab=1, [J] . Song DT., Hook A., Kozin I., Organometallics . 2001,第22期

机译：新型发光环金属化钯（II）和铂（II）配合物的合成和结构：M（Bab）Cl，M（Br-Bab）Cl（M = Pd（II），Pt（II））和Pd3Cl4（Tab）（2）（Bab = 1,3-双-，（7-氮杂吲哚基）苯基，Br-BaB = 1-溴-3,5-双（7-氮杂吲哚基）苯基，Tab = 1，
4. CYCLOMETALATED IRIDIUM(III) AQUO COMPLEXES: EFFICIENT AND TUNABLE CATALYSTS FOR THE HOMOGENEOUS OXIDATION OF WATER [C] . Neal D. McDaniel, Frederick J. Coughlin, Leonard L. Tinker ACS National Meeting Exposition . 2008

机译：环状氧化铱（III）Aquo复合物：用于均匀氧化水的高效和可调催化剂
5. Structure-reactivity investigations of ethylene polymerization and copolymerization using zwitterionic nickel and palladium complexes, and copolymerization of carbon dioxede and epoxides using salen chromium chloride complexes. [D] . Fang, Cindy Ching. 2003

机译：使用两性离子镍和钯配合物进行乙烯聚合和共聚反应，以及使用Salen氯化铬配合物进行二氧化碳和环氧化合物的共聚反应的结构反应性研究。
6. The Electronic Structure of Mn in Oxides Coordination Complexes and the Oxygen-Evolving Complex of Photosystem II Studied by Resonant Inelastic X-ray Scattering [O] . Pieter Glatzel, Uwe Bergmann, Junko Yano, -1

机译：共振非弹性X射线散射研究光系统II中氧化物配位配合物和析氧配合物中锰的电子结构
7. Electronic structures of cyclometalated palladium complexes in the higher oxidation states [O] . Nguyen, BN, Adrio, LA, Albrecht, T, 2015

机译：环氧金属化钯配合物在较高氧化态下的电子结构
8. Syntheses of Photoactive Complexes. Electronic Spectra, Electrochemistry, and SCF-X alpha-DV Calculations for Bis(phosphine)palladium Oxalate and Dithiooxalate Complexes [R] . Cowan, R. L., Pourreau, D. B., Rheingold, A. L., 1987

机译：光活性配合物的合成。电子光谱，电化学和sCF-X alpha-DV计算双（膦）钯草酸盐和二硫代草酸盐配合物

Electronic structures of cyclometalated palladium complexes in the higher oxidation states

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