UV-Photoelectron Spectra of [M~3(#eta#~3-C_3H_5)_2] (M=Ni, Pd, Pt) Revisited: A Quasi-Relativistic Density Functional Study

Maurizio Casarin; Luciano Pandolfo; Andrea Vittadini

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UV-Photoelectron Spectra of [M~3(#eta#~3-C_3H_5)_2] (M=Ni, Pd, Pt) Revisited: A Quasi-Relativistic Density Functional Study

机译：[M〜3（＃eta＃〜3-C_3H_5）_2]（M = Ni，Pd，Pt）的紫外光电子能谱：相对论密度泛函研究

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摘要

The molecular and electronic structure of [M~3(#eta#~3-C_3H_5)_2] (M=Ni, Pd, Pt) has been investigated by means of quasi-relativistic gradient-corrected density functional calculations.

机译：通过准相对论梯度校正密度泛函计算研究了[M〜3（＃eta＃〜3-C_3H_5）_2]（M = Ni，Pd，Pt）的分子和电子结构。

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《Organometallics》 |2001年第4期|共9页
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Maurizio Casarin; Luciano Pandolfo; Andrea Vittadini;
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正文语种 eng
中图分类有机化学;有机质材料;
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1. UV-Photoelectron Spectra of [M~3(#eta#~3-C_3H_5)_2] (M=Ni, Pd, Pt) Revisited: A Quasi-Relativistic Density Functional Study [J] . Maurizio Casarin, Luciano Pandolfo, Andrea Vittadini Organometallics . 2001,第4期

机译：[M〜3（＃eta＃〜3-C_3H_5）_2]（M = Ni，Pd，Pt）的紫外光电子能谱：相对论密度泛函研究
2. RELATIVISTIC EFFECTS ON METAL-LIGAND BOND STRENGTHS IN PI-COMPLEXES - A QUASI-RELATIVISTIC DENSITY FUNCTIONAL STUDY OF M(PH3)(2)X(2) (M=NI, PD, PT X(2)=O-2, C2H2, C2H4) AND M(CO)(4)(C2H4) (M=FE, RU, OS) [J] . Li JA., Ziegler T., Schreckenbach G. Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 1995,第12期

机译：PI复合物中金属配体键合强度的相对论效应-M（PH3）（2）X（2）（M = NI，PD，PT X（2）= O-2，C2H2的准相对论密度泛函研究，C2H4）和M（CO）（4）（C2H4）（M = FE，RU，OS）
3. A density functional study of [M(PH_3)_2(#eta#~2-C_2X_4)] alkene complexes for the Group 10 metals Ni, Pd, Pt: the effect of electron-attracting substituents [J] . Nunzi Francesco, Sgamellotti Antonio Journal of the Chemical Society, Dalton Transactions. Inorganic Chemistry . 1999,第19期

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UV-Photoelectron Spectra of [M~3(#eta#~3-C_3H_5)_2] (M=Ni, Pd, Pt) Revisited: A Quasi-Relativistic Density Functional Study

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