Chemical Hardness by Sen K.D.

Inorganic

By Sen K.D.

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2 Quantumchemical Solution . . . . . . . . . . . . . . . . . 3 Atom-in-Molecule Electronegativity and Hardness . . . . . . . . . . 55 55 56 57 4 Chemical Applications and Expectations . . . . . . . . . . . . . . . 1 Charge Transfer . . . . . . . . . . . . . . . . . . . . . 2 Charge Transfer Affinity . . . . . . . . . . . . . . . . . . 3 Pearson Principle (HSAB) . . . . . . . . . . . . . . . . .

2 Quantumchemical Solution . . . . . . . . . . . . . . . . . 3 Atom-in-Molecule Electronegativity and Hardness . . . . . . . . . . 55 55 56 57 4 Chemical Applications and Expectations . . . . . . . . . . . . . . . 1 Charge Transfer . . . . . . . . . . . . . . . . . . . . . 2 Charge Transfer Affinity . . . . . . . . . . . . . . . . . . 3 Pearson Principle (HSAB) . . . . . . . . . .

43 Structure and Bonding, Vol. ~Springer-Verlag Berlin Heidelberg 1993 28 Jos6 L. Gfizquez 1 Introduction The principle of hard and soft acids and bases [I] (HSAB), and the principle of electronegativity equalization 1,2], together with frontier orbital theory 1,3] have been, over the years, very useful to establish the behavior of molecules under different circumstances, their reactive sites, and possible reaction mechanisms [4]. Through these principles, and through the values of the parameters associated with them: hardness, softness, and electronegativity, it has been possible to correlate and to analyze experimental information that allows one to characterize the interactions involved between different chemical species in many different situations.

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