A de voe theory approach to transition metal complexes stereochemistry
β Scribed by M. Zandomeneghi; C. Rosini; P. Salvador
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 303 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The electronic excitations and the static first hyperpolarizability of three typical transition metal (TM) aromatic carbonyl complexes, two tungsten pentacarbonyl derivatives (W(CO)~5~L, L = Py and PyCHO) and one chromium tricarbonyl arene derivative (Cr(CO)~3~Bz, Bz = benzene), have be
## Abstract Highβquality DFT calculations are employed to estimate the arene exchange energies for reactions of general formula: For C~60~ and C~70~ complexes of Cr(CO)~3~, full geometry optimizations at the DFT level using moderately large basis sets were performed, while for the other systems a