DOI: 10.1135/cccc20050550. Electronegativity and Average Local Ionization Energy

Electronegativity and Average Local Ionization Energy

10.1135/cccc20050550

Crossref journal-article

Institute of Organic Chemistry & Biochemistry

Collection of Czechoslovak Chemical Communications (111)

Abstract

A variation of an earlier formulation of electronegativity by Allen, as the average valence electron ionization energy of a ground-state atom, is proposed. It is shown that the calculated average local ionization energies on the 0.001 a.u. electronic density contours of atoms correlate very well with Allen's values. Our procedure makes it unnecessary to enumerate valence electrons, which can be a problem due to interpenetration of shells.

Bibliography

Politzer, P., Murray, J. S., & Grice, M. E. (2005). Electronegativity and Average Local Ionization Energy. Collection of Czechoslovak Chemical Communications, 70(5), 550â558.

Authors 3

Peter Politzer (first)
Jane S. Murray (additional)
M. Edward Grice (additional)

References 47 Referenced 20

10.1021/ja01348a011
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{'key': '20050550_33', 'first-page': '213', 'volume': '25', 'author': 'Jorgensen', 'year': '1971', 'journal-title': 'Chimia'} / Chimia by Jorgensen (1971)
10.1139/v90-220
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10.1007/s00894-003-0153-x

Dates

Type	When
Created	20 years, 2 months ago (June 21, 2005, 10:02 a.m.)
Deposited	6 years, 11 months ago (Sept. 9, 2018, 1:57 p.m.)
Indexed	1 year, 8 months ago (Dec. 15, 2023, 4:20 p.m.)
Issued	20 years, 8 months ago (Jan. 1, 2005)
Published	20 years, 8 months ago (Jan. 1, 2005)
Published Online	20 years, 8 months ago (Jan. 1, 2005)
Published Print	20 years, 8 months ago (Jan. 1, 2005)

Funders 0

None

BibTeX

@article{Politzer_2005, title={Electronegativity and Average Local Ionization Energy}, volume={70}, ISSN={1212-6950}, url={http://dx.doi.org/10.1135/cccc20050550}, DOI={10.1135/cccc20050550}, number={5}, journal={Collection of Czechoslovak Chemical Communications}, publisher={Institute of Organic Chemistry & Biochemistry}, author={Politzer, Peter and Murray, Jane S. and Grice, M. Edward}, year={2005}, pages={550–558} }

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