
TY  - JOUR
A1  - Harcourt, RD 
T1  - An N<sub>2</sub>O<sub>4</sub> isomer as a model for the examination of the origin of the antiferro magnestism of the copper acetate monohydrate dimer
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1974
VL  - 27
IS  - 10
SP  - 2065
EP  - 2073
KW  - 
UR  - https://doi.org/10.1071/CH9742065 
N2  - Some results of VESCF molecular orbital calculations, with configuration interaction, are reported for an N204 isomer having the geometry of     (see diagram in article)  This isomer can mimic the two copper ions and the oxygen atoms of two acetate ligands of Cu2(O2CCH3)4,2H2O. The calculations suggest that the primary factor responsible for the singlet-triplet separation (J &#8776; 286 cm-1) for the copper acetate is the simultaneous overlap which occurs between two lone-pair oxygen atomic orbitals of each acetate ligand with each other and with the singly occupied orbitals of the copper(11) ions. The relevance of five-electron three-centre bonding for the interpretation of the magnetic properties of two classes of binuclear transition metal complexes is indicated. 
ER  -

