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Ionic bonding method

HN3, with the structure H N N N making the largest contribution to the normal state, cannot be discussed until methods are developed for evaluating the energies of partially ionic bonds. [Pg.132]

The method of catalyst immobilisation appeared to affect its performance in catalysis. Catalyst obtained by method II showed a low selectivity in the hydroformylation of 1-octene (l b aldehyde ratio was even lower than 2) at a very high rate and high yields of isomerised alkenes (Table 3.2, entry 2), whereas procedure IV resulted in a catalyst that was highly selective for the linear aldehyde (with a l b ratio of 37) (entry 5). In accordance with examples from literature it is likely that procedure II gave rise to the ionic bonding of ligand-free rhodium cations on the slightly acidic silica surface [29],... [Pg.46]

Ionic hydrogenations of C=C bonds generally work well only in cases where a tertiary or aryl-substituted carbenium ion can be formed through protonation of the C=C bond. Alkenes that give a tertiary carbenium ion upon protonation include 1,1-disubstituted, tri-substituted and tetra-substituted alkenes, and each of these are usually hydrogenated by ionic hydrogenation methods in high yields. [Pg.156]

To prove that this method can be applied also to solids with strong ionic bonding, NaCl was investigated as an example. Also in this case an aluminia Knudsen cell was used, the orifice diameter was calibrated with gold. Figure 69 shows a graphical presentation of the vapor pressure data obtained, compared with data from the literature (Kelly)68. ... [Pg.140]

Under the Born-Oppenheimer approximation, two major methods exist to determine the electronic structure of molecules The valence bond (VB) and the molecular orbital (MO) methods (Atkins, 1986). In the valence bond method, the chemical bond is assumed to be an electron pair at the onset. Thus, bonds are viewed to be distinct atom-atom interactions, and upon dissociation molecules always lead to neutral species. In contrast, in the MO method the individual electrons are assumed to occupy an orbital that spreads the entire nuclear framework, and upon dissociation, neutral and ionic species form with equal probabilities. Consequently, the charge correlation, or the avoidance of one electron by others based on electrostatic repulsion, is overestimated by the VB method and is underestimated by the MO method (Atkins, 1986). The MO method turned out to be easier to apply to complex systems, and with the advent of computers it became a powerful computational tool in chemistry. Consequently, we shall concentrate on the MO method for the remainder of this section. [Pg.106]

The ECM has been frequently used to study the electronic properties of materials with ionic or partially ionic bonding like in metal oxides. There are many procedures to couple the quantum cluster to its environment, they have been reviewed by Sousa et al. [45]. All these methods have three points in common ... [Pg.145]

Partial covalency in essentially ionic bonds changes somewhat the distribution of electrons, detectable as electron delocalisation by the modem methods of nuclear magnetic and electron spin resonance (NMR and ESR). Although the interpretations of these measurements widely differ (see 292, 293, 320) they doubtless prove the existence of partial covalency (in the order of magnitude of 10%) even in the most ionic fluorides AMeFg. Little work seems to have been done one fluorides of the heavier transition elements (96), but there is an abundant literature on first transition series fluorides, of which an arbitrary selection is given below for further information. ... [Pg.65]

Note that the more ionic the bond, the less important the apparent distinction between 3-c-4-e bonding and vBT becomes, because the weaknesses of both methods of modeling the bonding decrease when one goes towards the limit of a purely ionic bond. ... [Pg.955]


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See also in sourсe #XX -- [ Pg.231 ]




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