Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls

2006 ◽  
Vol 45 (3) ◽  
pp. 1108-1116 ◽  
Author(s):  
Masaki Murata ◽  
Satoru Habe ◽  
Shingo Araki ◽  
Kosuke Namiki ◽  
Teppei Yamada ◽  
...  
Keyword(s):  
Metal Carbonyls ◽  
Cluster Complexes ◽  
Heterometal Cluster

Novel organotransition-metal cluster complexes via reactions of dinuclear metal carbonyls with (.mu.-.sigma.,.pi.-alkynyl)(.mu.-alkanethiolato)bis(tricarbonyliron) complexes

1988 ◽  
Vol 7 (10) ◽  
pp. 2163-2172 ◽  
Author(s):  
Dietmar. Seyferth ◽  
Jeffrey B. Hoke ◽  
Arnold L. Rheingold ◽  
Martin. Cowie ◽  
Allen D. Hunter
Keyword(s):  
Metal Cluster ◽  
Metal Carbonyls ◽  
Cluster Complexes

The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N,N'-dialkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)

2003 ◽  
Vol 68 (1) ◽  
pp. 89-104 ◽  
Author(s):  
Stanislav Záliš ◽  
Antonín Vlček ◽  
Chantal Daniel
Keyword(s):  
Excited States ◽  
Substitution Effect ◽  
Electronic Transitions ◽  
Ligand Field ◽  
Metal Carbonyls ◽  
Electron Density Redistribution ◽  
Time Resolved ◽  
Model Complex ◽  
Td Dft ◽  
Time Resolved Infrared Spectroscopy

This contribution presents the results of the TD-DFT and CASSCF/CASPT2 calculations on [W(CO)4(MeDAB)] (MeDAB = N,N'-dimethyl-1,4-diazabutadiene), [W(CO)4(en)] (en = ethylenediamine), [W(CO)5(py)] (py = pyridine) and [W(CO)5(CNpy)] (CNpy = 4-cyanopyridine) complexes. Contrary to the textbook interpretation, calculations on the model complex [W(CO)4(MeDAB)] and [W(CO)5(CNpy)] show that the lowest W→MeDAB and W→CNpy MLCT excited states are immediately followed in energy by several W→CO MLCT states, instead of ligand-field (LF) states. The lowest-lying excited states of [W(CO)4(en)] system were characterized as W(COeq)2→COax CT excitations, which involve a remarkable electron density redistribution between axial and equatorial CO ligands. [W(CO)5(py)] possesses closely-lying W→CO and W→py MLCT excited states. The calculated energies of these states are sensitive to the computational methodology used and can be easily influenced by a substitution effect. The calculated shifts of [W(CO)4(en)] stretching CO frequencies due to excitation are in agreement with picosecond time-resolved infrared spectroscopy experiments and confirm the occurrence of low-lying M→CO MLCT transitions. No LF electronic transitions were found for either of the complexes studied in the region up to 4 eV.

Infrared spectroscopy of unsupported metal cluster complexes using multiple photon dissociation

1986 ◽  
Vol 85 (2) ◽  
pp. 1198-1199 ◽  
Author(s):  
M. R. Zakin ◽  
R. O. Brickman ◽  
D. M. Cox ◽  
K. C. Reichmann ◽  
D. J. Trevor ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Metal Cluster ◽  
Cluster Complexes
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