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Updated: May 13, 2026

Synthesis and Characterization of Functionalized Metal-organic Frameworks
Published on: September 5, 2014
Molecules with high bond orders and ultrashort bond lengths: CrU, MoU, and WU
Fernando Ruipérez1, Gabriel Merino, Jesus M Ugalde
1Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center, P. K. 20080 Donostia, Euskadi, Spain.
Abstract:
The structural and energetic parameters of MU heterobimetallic dimers (M = Cr, Mo, W) have been computed using the complete active space self-consistent-field method followed by second-order perturbation theory. Our results show that the effective bond order (EBO) of the MoU dimer (5.5) is higher than that for the tungsten dimer (5.2), known to date as the molecule with the highest EBO. These heterodimers present also ultrashort bond distances and remarkably large dissociation energies, which make these molecules suitable and interesting potential candidates in synthetic bimetallic organometallic chemistry.
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