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A theoretical model for understanding photomagnetism in the heptanuclearcomplex $[Mo(IV)(CN)_2(CN-CuL)_6]^{8+}$ perchlorate is developed. It is amany-body model involving the active orbitals on the transition metal ions. Themodel is exactly solved using a valence bond approach. The ground statesolution of the model is highly degenerate and is spanned by five S=0 states,nine S=1 states, five S=2 states and one S=3 state. The orbital occupancies inall these states correspond to six $Cu(II)$ ions and one diamagnetic $Mo(IV)$ion. The optically excited charge-transfer (CT) state in each spin sector occurat nearly the same excitation energy of 2.993 eV for the physically reasonableparameter values. The degeneracy of the CT states is largest in the S=3 sectorand so is the transition dipole moment from the ground state to these excitedstates. Thus laser irradiation with light of this energy results in mostintense absorption in the S=3 sector. The life-time of the S=3 excited statesis also expected to be the largest as the number of states below that energy isvery sparse in this spin sector when compared to other spin sectors. These twinfeatures of our model explain the observed photomagnetism in the$[Mo(IV)(CN)_2(CN-CuL)_6]^{8+}$ complex.Comment: 8 pages, 6 figures and 1 tabl

physical review. b, condensed matter and materials physics

Microscopic model for photoinduced magnetism in the molecular complex<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mo>[</mml:mo><mml:mi>Mo</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>IV</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>CN</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>CN</mml:mi><mml:mtext>−</mml:…

Microscopic model for photoinduced magnetism in the molecular complex[Mo(IV)(CN)2(CN−