CLOSED-SHELL ELECTRONIC-STRUCTURES FOR LINEAR LNMXMLN DINUCLEAR TRANSITION-METAL COMPLEXES Academic Article

abstract

• The unparametrized Fenske-Hall method is used to study the closed-shell electronic requirements for a large number of linear L.,MXML., (n = 3-6) dinuclear transition-metal complexes. The linearity of the dinuclear complexes relates closely to the two 3-center ir bonds in the M-X-M unit. The occupation of the corresponding ir-antibonding orbitals results in a severely bent M-X-M geometry. Linear dinuclear complexes with vertex-sharing tetrahedra, L3MXML3, require a d-d8 closed-shell configuration. For linear L5MXML5 complexes with a structure of vertex-sharing octahedra, a d4-d4 configuration will satisfy the closed-shell requirement. Complexes L6MXML6 with a linear vertex-sharing pentagonal-bipyramidal geometry correspond to a d2-d2 closed-shell configuration. 1991, American Chemical Society. All rights reserved.

authors

• Hall, Michael

published proceedings

• INORGANIC CHEMISTRY

author list (cited authors)

• LIN, Z. Y., & HALL, M. B.

citation count

• 9

complete list of authors

• LIN, ZY||HALL, MB

publication date

• October 1991

publisher

• American Chemical Society (ACS)  Publisher

published in

• Inorganic Chemistry  Journal

Digital Object Identifier (DOI)

• 10.1021/ic00020a009

start page

• 3817

end page

• 3822

volume

• 30

issue

• 20

URL

• http://dx.doi.org/10.1021/ic00020a009