TY - JOUR
T1 - Coordination of Dioxygen in Three Representative Transition Metal Cations
T2 - FeO 2+, CrO +2, and [CH3Re(O2)2O]+
AU - Schröder, Detlef
AU - Fiedler, Andreas
AU - Herrmann, Wolfgang A.
AU - Schwarz, Helmut
PY - 1995/12/1
Y1 - 1995/12/1
N2 - How is dioxygen activated by “naked” or ligated metals? Details of the potential energy surfaces of the three representative cations [Fe,O2]+, [Cr,O2]+, and [CH3Re(O2)2O]+ were correlated with mass spectrometric data. The results may lead to a better understanding of O2 activation in synthetic, industrial, and biological processes.
AB - How is dioxygen activated by “naked” or ligated metals? Details of the potential energy surfaces of the three representative cations [Fe,O2]+, [Cr,O2]+, and [CH3Re(O2)2O]+ were correlated with mass spectrometric data. The results may lead to a better understanding of O2 activation in synthetic, industrial, and biological processes.
KW - ab initio calculations
KW - mass spectrometry
KW - oxygen activation
KW - transition metal oxides
UR - http://www.scopus.com/inward/record.url?scp=33748228462&partnerID=8YFLogxK
U2 - 10.1002/anie.199525171
DO - 10.1002/anie.199525171
M3 - Article
AN - SCOPUS:33748228462
SN - 0570-0833
VL - 34
SP - 2517
EP - 2520
JO - Angewandte Chemie International Edition in English
JF - Angewandte Chemie International Edition in English
IS - 22
ER -