Theoretical studies of bridging-ligand effects in quadruply bonded dichromium(II) compounds
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Generalized molecular orbital (GMO) and configuration interaction (CI) calculations are reported for Cr2(O2CH)4 and Cr2-((NH)2CH)4 at various Cr-Cr bond lengths. The results show a bond shortening of 0.48 Å when the formato ligands are replaced by amino iminato ligands. Analysis of the CI wave function shows that the stronger donating ligand, (NH)2CH, causes the Cr atomic orbitals to expand and thereby increases the Cr-Cr overlaps. Thus, the inductive effect of the bridging ligand may be an important factor in determining the Cr-Cr bond length. © 1985, American Chemical Society. All rights reserved.
author list (cited authors)
Kok, R. A., & Hall, M. B.