Multicenter molecules

Multicenter Molecules with Non-interacting Redox Centers... 

Multicenter Numerical Integration Scheme for Polyatomic Molecules... 

Becke, A. D., 1988c, A Multicenter Numerical Integration Scheme for Polyatomic Molecules , J. Chem. Phys.,... 

A polymeric structure is exhibited by "beryllium dimethyl," which is actually [Be(CH3)2] (see the structure of (BeCl2) shown earlier), and LiCH3 exists as a tetramer, (LiCH3)4. The structure of the tet-ramer involves a tetrahedron of Li atoms with a methyl group residing above each face of the tetrahedron. An orbital on the CH3 group forms multicentered bonds to four Li atoms. There are numerous compounds for which the electron-deficient nature of the molecules leads to aggregation. 

Tapia, O., Colonna, F. and Angyan, J. G. Generalized self-consistent reaction field theory in multicenter-multipole ab initio LCGO framework. I. Electronic properties of the water molecule in a Monte Carlo sample of liquid water molecules studied with standard basis sets, J.ChimPhys., (1990), 875-903... 

Theoretical investigations of the P4 molecule (30,31) depict its valence shell electron density as being concentrated inside and on the faces of the tetrahedron, where it plays the role of multicenter molecular bonding, with little or no (nucleophilic) free electron pairs located on, and pointing out from, the individual atoms. 

An old reaction patented by Lange [19] involves the coupling of naphthyl-diazonium salts with sodium sulfite to yield azonaphthalene. A more recent study of this reaction indicates that the first step of the reaction is the formation of an aryl-iyn-diazosulfonate which couples with another molecule of a diazonium salt and by a multicentered rearrangement ultimately affords an azo compound [20, 21]. The reaction is represented in Eq. (7). The validity of... 

In this review, emphasis will be placed first on definitive proof of structure for compounds of main group organometallic compounds that contain the electron-deficient or multicentered bonds described. Evidence for the occurrence of these systems in both liquid an gaseous states also will be given. Finally, this structural information will be used to elucidate the bonding in the molecules. 

Recently, Sokalski et al. presented distributed point charge models (PCM) for some small molecules, which were derived from cumulative atomic multipole moments (CAM Ms) or from cumulative multicenter multipole moments (CMMMs) [89,90] (see Sect. 3.2). For this method the starting point can be any atomic charge system. In their procedure only analytical formulas are used,... 

---