Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies
✍ Scribed by Yélamos, Carlos; Gust, Karl R.; Baboul, Anwar G.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.
- Book ID
- 120168561
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 211 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0020-1669
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## Abstract A series of 4‐substituted Hantzsch 1,4‐dihydropyridines has been synthesized. Substituents at the 4‐position include 2‐pyridyl, 2‐imidazolyl, and 1‐methyl‐2‐imidazolyl. By use of various acetoacetic ester derivatives methoxy and methylthio groups have been introduced in the ester side c
Localized molecular orbitals (LMOs) for several octahedral complexes are presented. Wavefunctions are calculated within the PRDDO approximations and localized by the Boys criterion. Complexes of general formula (NH3),(CO)6-,M, M = Cro or Mn' and x = 1, 2, or 3 illustrate the general trends for carbo