On the spin-forbiddeness of gas-phase ion–molecule reactions: a fruitful intersection of experimental and computational studies
摘要：
The effects of spin changes on the efficiencies and product distributions of gas-phase ion–molecule reactions are analyzed, and the examples discussed include metal- as well as non-metal containing systems, with some emphasis on various types of bond activation by 'naked' transition-metal cations and structurally simple cationic transition-metal oxides. Whenever possible, comparison of the experimental findings with computational studies will be made, and the agreement is generally good if not excellent.
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关键词：
Bibliography, Experimental, Theoretical or Mathematical/ bibliographies bonds (chemical) ion-molecule reactions mass spectroscopic chemical analysis oxidation positive ions potential energy surfaces reaction kinetics spin-orbit interactions transition metal compounds transition metals/ gas-phase ion-molecule reaction efficiencies spin-forbiddeness spin change effects gas-phase ion-molecule reaction product distributions metal-containing systems nonmetal containing systems bond activation naked transition-metal cations structurally simple cationic transition-metal oxides computational chemistry mass spectrometry molecular orbital symmetry spin-orbit coupling oxidation chemistry potential energy surfaces transition-metal chemistry/ A8230F Ion-molecule, ion-ion, and charge-transfer reactions A8220H Mechanisms and product distributions in chemical kinetics A8220K Potential energy surfaces for chemical reactions A8220P Measurements of chemical rate constants, reaction cross sections, a
DOI：
10.1016/j.ijms.2004.06.006
被引量：
年份：
2004
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