MOLECULAR-ENERGIES IN PARTLY CHARGED ORGANIC-SOLIDS

被引：19

作者：

SOOS, ZG

机构：

[1] Department of Chemistry, Princeton University, Princeton

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 63卷 / 01期

关键词：

D O I：

10.1016/0009-2614(79)80485-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The energies ΔED(γ) and ΔEA(-γ) for a partly charged organic donor, Dγ+, and organic acceptor, Aγ-, are discussed in terms of a three-point fit based on γ=-1,0, and 1, as used in atomic electronegativities. Apparent difficulties with the existence and stability of partly charged (γ ≈ 1 2) 1:1 DA solids are resolved on using improved ΔED (γ) and ΔEA(-γ) values instead of the more common linear estimates. © 1979.

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页码：179 / 183

页数：5

相关论文

共 25 条

[1] ELECTROSTATIC INTERACTIONS IN TETRATHIAFULVALENIUM-TETRACYANOQUINODIMETHANIDE (TTF-TCNQ) - MADELUNG ENERGY AND NEAR-NEIGHBOR INTERACTIONS [J].

EPSTEIN, AJ ;

LIPARI, NO ;

SANDMAN, DJ ;

NIELSEN, P .

PHYSICAL REVIEW B, 1976, 13 (04) :1569-1579

[2] PRINCIPLE OF ELECTRONEGATIVITY EQUALIZATION .1. BOND MOMENTS AND FORCE CONSTANTS [J].

FERREIRA, R .

TRANSACTIONS OF THE FARADAY SOCIETY, 1963, 59 (485) :1064-&

[3] PRINCIPLE OF ELECRONEGATIVITY EQUALIZATION .2. BOND-DISSOCIATION ENERGIES [J].

FERREIRA, R .

TRANSACTIONS OF THE FARADAY SOCIETY, 1963, 59 (485) :1075-&

[4] ELECTRONIC-STRUCTURE OF TETRACYANOQUINODIMETHANE (TCNQ) MOLECULE [J].

HERMAN, F ;

BATRA, IP .

PHYSICAL REVIEW LETTERS, 1974, 33 (02) :94-97

[5] ELECTRONEGATIVITY .2. BOND AND ORBITAL ELECTRONEGATIVITIES [J].

HINZE, J ;

WHITEHEAD, MA ;

JAFFE, HH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (02) :148-&

[6] ELECTRON CORRELATIONS IN NARROW ENERGY BANDS .2. DEGENERATE BAND CASE [J].

HUBBARD, J .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1964, 277 (1368) :237-+

[7] ELECTRON CORRELATIONS IN NARROW ENERGY BANDS .3. IMPROVED SOLUTION [J].

HUBBARD, J .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1964, 281 (1384) :401-+

[8] ELECTRON CORRELATIONS IN NARROW ENERGY BANDS [J].

HUBBARD, J .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1963, 276 (1364) :238-+

[9] ELECTRONEGATIVITY [J].

ICZKOWSKI, R ;

MARGRAVE, JL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (17) :3547-&

[10]

KELLER HJ, 1977, CHEM PHYSICS ONE DIM, V25