Abstract
IMOMM(Becke3LYP:MM3) calculations on the [Tp(tBu)]CuC1 and [Tp(tBu),(Me)]CuC1 complexes show that the non-symmetrical arrangement observed around the Cu(II) centre is essentially controlled by a Jahn-Teller effect, and rather independent of the sterical demands of the particular tris(pyrazolyl)borate ligands. © 2000 Elsevier Science S.A.
Original language | English |
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Pages (from-to) | 590-593 |
Journal | Inorganic Chemistry Communications |
Volume | 3 |
Issue number | 11 |
DOIs | |
Publication status | Published - 1 Jan 2000 |
Keywords
- Copper
- Hybrid calculations
- Jahn-Teller distortion
- Pyrazolylborates