The Characterization of Metal–Metal Bonds in Unsaturated Binuclear Homoleptic Transition Metal Carbonyls. The Compliance Matrix
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Y. Xie
Abstract
The compliance matrix (inverse force constant matrix) has been used to estimate metal–metal bond character for the homoleptic transition metal carbonyls Fe2(CO)n and Co2(CO)n. The results are often in agreement with other methods, but the compliance matrix provides a unique measure while other methods may be ambiguous. The more unsaturated compounds with fewer carbonyls have stronger metal–metal linkages, indicating a general, if not infallible, correlation between the diagonal compliance matrix element and the formal bond order, given by the 18-electron rule. It is found that the apparent metal–metal bond strength, as judged by the compliance matrix, is significantly enhanced by the bridging (as opposed to terminal) carbonyls. Thus one must only make precise comparisons between systems with the same numbers of bridging carbonyls.
© 2003 Oldenbourg Wissenschaftsverlag GmbH
Artikel in diesem Heft
- The Characterization of Metal–Metal Bonds in Unsaturated Binuclear Homoleptic Transition Metal Carbonyls. The Compliance Matrix
- Quantum Chemical Investigation of Spin-Forbidden Transitions in Dithiosuccinimide
- Rovibronic States in the X2Π State of the CCS− Anion
- Ab initio MRD-CI Study of the Electronic Spectrum of Tribromomethanol Br3COH and the Photofragmentation along Br–C and C–O Cleavage
- Theoretical Study of the Dissociation and Isomerization of NCS
- Theoretical Study of the Vertical Electronic Spectra, Electron-Spin g-Factors and Hyperfine Coupling Constants of the (C2v) Cyclic Radicals C3+, Si3+, C3− and Si3−
- Measurement of the 129Xe NMR Chemical Shift of Supercritical Xenon
Artikel in diesem Heft
- The Characterization of Metal–Metal Bonds in Unsaturated Binuclear Homoleptic Transition Metal Carbonyls. The Compliance Matrix
- Quantum Chemical Investigation of Spin-Forbidden Transitions in Dithiosuccinimide
- Rovibronic States in the X2Π State of the CCS− Anion
- Ab initio MRD-CI Study of the Electronic Spectrum of Tribromomethanol Br3COH and the Photofragmentation along Br–C and C–O Cleavage
- Theoretical Study of the Dissociation and Isomerization of NCS
- Theoretical Study of the Vertical Electronic Spectra, Electron-Spin g-Factors and Hyperfine Coupling Constants of the (C2v) Cyclic Radicals C3+, Si3+, C3− and Si3−
- Measurement of the 129Xe NMR Chemical Shift of Supercritical Xenon
