Evaluation and Test of Pauling's Electronegativity Scale

Autor:	Leland C. Allen, Lynne Reed Murphy, Terry L. Meek, A.Louis Allred
Rok vydání:	2000
Předmět:	Electronegativity Range (mathematics) Research groups Scale (ratio) Computational chemistry Polarity (physics) Chemistry Additive function Statistical physics Physical and Theoretical Chemistry
Zdroj:	The Journal of Physical Chemistry A. 104:5867-5871
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp000288e
Popis:	We first state simple rules which all electronegative scales must obey and apply these to Pauling's scale. Second, we investigate Pauling's bond energy−bond polarity equations and similar expressions that better reflect the additivity of energy. These relationships are then tested against many groups of molecules (including all of those previously tested by other research groups). Pauling χ is found to violate more than half of the elementary rules appropriate to χ scales. We also find that even the best form of the bond energy−bond polarity equation can only be satisfied by a very limited range of molecules and the form used by Pauling is only valid for a small number of bonds with low polarities.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1bca87a37bcdf39a80feb4cd8d98314c https://doi.org/10.1021/jp000288e Zobrazit plný text záznamu