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Electronegativity Additive Equalization Principle

Aiming to analytically expressing an atoms-in-molecule expression of electronegativity and chemical hardness, the starting point is to consider the expansion of the atomic eneigy of an atom, around its A-electronic isolated ( 0 ) status, up to the second order, when attempts to a molecular coordination throughout the chaige transfer (AA  [Pg.262]

Following above convention, the relation between electronegativity of an atom in coordination and its isolated electronegativity and chemical hardness looks like  [Pg.263]

the electronegativity of the total system (molecule) is representable, according with the Sanderson equalization principle of regional electronegativities, consecutively as  [Pg.264]

This result, however, seems to prohibit the equality between global and regional electronegativities  [Pg.264]

Beyond of the perplexity given by such inequalities, this paradox is simple solved observing that  [Pg.264]


As already mentioned, through DFT, it has been possible to explain the electronegativity equalization principle [1,7,10-13] and the hard and soft acids and bases principle [12,15-22] and, additionally, it has also been possible to introduce new ones like the maximum hardness principle [52,53] and the local hard and soft acids and bases principle [20,54—56]. [Pg.20]


See other pages where Electronegativity Additive Equalization Principle is mentioned: [Pg.225]    [Pg.262]    [Pg.225]    [Pg.262]    [Pg.360]    [Pg.110]    [Pg.41]    [Pg.20]    [Pg.398]    [Pg.66]   


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Additives electronegativity

Additivity principle

Electronegativity equalization

Equal

Equaling

Equality

Equalization

Principle Additive

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