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Theoretical studies of the spin states of macrocyclic aza-amido binuclear copper (II) complexes by Pravat K. Mandal; Bhabadyuti Sinha; P.T. Manoharan; S. Ramasesha is a Physics and Astronomy article available to read on EtoBox.

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The spin and charge excitation gaps and charge and spin density distributions have been studied in macrocyclic binuclear azaamido copper (II) complexes employing a model Hamiltonian. The spin gaps depend on the o-orbital occupancies, and for small gaps, the exchange integral between the cr orbitals of the bridging oxygen atoms, Koo, which is sensitive to geometry, determines the low-lying spin excitations. The singlet-singlet gaps also depend upon the c-orbital occupancy but are weakly dependent upon Koo.

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Author

Pravat K. Mandal; Bhabadyuti Sinha; P.T. Manoharan; S. Ramasesha

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

1992

Language

EN

Field

Physics and Astronomy (Physical Sciences)