✦ LIBER ✦
Endor and triple resonance on covalent copper(II) complexes, comparison of experimental results with semi-empirical quantum-chemical calculations
✍ Scribed by J. Stach; R. Kirmse; C. Nieke; J. Reinhold; R. Böttcher
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 369 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Results of ENDOR and TRIPLE resonance investigations on covalent copper(U) compleses are interpreted by means of semi-empirical EHMO. INDO and NDDO calculations, The spin-uorestricted lND0 and NDDO calculations show Ihat spin polarization mainly determines the large ligand hyperfine coupling constants observed for the "nest neighbours" in the &elate rings of the investigated compounds.