Spectroscopic and Theoretical Studies of Transition Metal Oxides and Dioxygen Complexes

被引：346

作者：

Gong, Yu ^{[1
]}

Zhou, Mingfei ^{[1
]}

Andrews, Lester ^{[2
]}

机构：

[1] Fudan Univ, Dept Chem, Shanghai Key Lab Mol Catalysts & Innovat Mat, Adv Mat Lab, Shanghai 200433, Peoples R China

[2] Univ Virginia, Dept Chem, Charlottesville, VA 22901 USA

来源：

CHEMICAL REVIEWS | 2009年 / 109卷 / 12期

基金：

中国国家自然科学基金;

关键词：

DENSITY-FUNCTIONAL CALCULATIONS; LYING ELECTRONIC STATES; LASER-INDUCED FLUORESCENCE; FOURIER-TRANSFORM SPECTROSCOPY; MATRIX INFRARED-SPECTRA; MAGNETIC CIRCULAR-DICHROISM; PURE ROTATIONAL SPECTRUM; TEMPERATURE PHOTOELECTRON-SPECTROSCOPY; GAS-PHASE THERMOCHEMISTRY; MILLIMETER-WAVE SPECTRUM;

D O I：

10.1021/cr900185x

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A study was conducted to demonstrate spectroscopic and theoretical investigations of transition metal oxides and dioxygen complexes. The study focused on investigating binary transition metal-oxygen molecular species with several metal and oxygen atoms that existed in several structural forms and involved different chemical bonding. It was observed that molecular oxygen had the potential to bond side-on or end-on to a metal center forming dioxygen complexes. These dioxygen complexes were intermediate states for the complete cleavage of the O-O bond to form metal oxides. These species were considered as the simplest model for oxygen binding to metal centers. These models were investigated under well-defined conditions at the molecular level that were free of effects from ligands, solvents, surface active sites, and the crystal lattice.

引用

页码：6765 / 6808

页数：44

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