Bond energies INDEX

Table 2.2 contains mean values of the Cu—Oz bond lengths ((<7Cu—())), copper valence index [11] (FCu) and partial charge (<2Cu), one-electron energies of the HOMO and LUMO ( HOmo> lumo) levels along with the bonding energy of Cu1 to the hosting cluster. 

Many A-nitro compounds show explosive instability, arising from the low N—N bonding energy, and the explosive properties of A-alkyl-A-nitroaiylamines have been discussed. Individually indexed compounds are ... 

Reed and Allen, using their bond polarity index, have assigned values of 0.000, 0.027, and 0.050, respectively (compared to H —0.032 and F 0.189) [108]. Without attempting to be too quantitative, convenient values of the core energies of hybrid atomic orbitals, in units, recognizing that changes in coordination number also occur, are approximately... 

There is an extensive literature on ammines and the Chemical Abstracts 10th Collective Index (1977-81) has four pages under this heading. One important parameter for this class of compound is the metal-nitrogen bond length and Table 1 lists some of the available data. Transition metal-NH, bond energies have also been calculated.100... 

Values for the important index of reactivity, the jr-bond energy, Dn(Si=X), may be obtained from ... 

Such techniques were used by Benard and Oudar and co-workers (5) on polycrystalline Cu catalysts (9), on monocrystals of Ag (10), and on other metals (//). On the low-index Ag monocrystals, the bonding energy of chemisorbed sulfur follows the sequence (110) > (100) >(111), showing that the sulfur affinity changes with respect to the crystallographic orientation under consideration and therefore on the basis of the coordination number. 

This is a resonance energy index that relates tt-energy to the Pauling —> bond order P by the following expression ... 

Since different bond energies of the reacting molecules with the catalyst correspond to different catalysts, different catalysts must correspond to reactions with different indexes. 

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