USE OF CORE ELECTRON-BINDING ENERGIES FOR THE COMPARISON OF VALENCE-SHELL IONIZATION-POTENTIALS AND THE QUANTIFICATION OF THE BONDING AND ANTI-BONDING CHARACTER OF MOLECULAR-ORBITALS

被引：36

作者：

JOLLY, WL ^{[1
]}

机构：

[1] UNIV CALIF LAWRENCE BERKELEY NATL LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1981年 / 85卷 / 25期

关键词：

D O I：

10.1021/j150625a017

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：

引用

页码：3792 / 3797

页数：6

共 28 条

[11] MODEL FOR PROTON AFFINITIES AND INNER-SHELL ELECTRON BINDING-ENERGIES BASED ON HELLMANN-FEYNMAN THEOREM [J].

DAVIS, DW ;

RABALAIS, JW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) :5305-5310

[12] PROTON AFFINITY, IONIZATION-ENERGY, AND THE NATURE OF FRONTIER ORBITAL ELECTRON-DENSITY [J].

DEKOCK, RL ;

BARBACHYN, MR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (22) :6516-6519

[13] PHOTOELECTRON SPECTRA AND ELECTRONIC STRUCTURES OF TRIFLUORAMINE OXIDE AND TRIFLUOROPHOSPHINE OXIDE [J].

FROST, DC ;

HERRING, FG ;

MITCHELL, KA ;

STENHOUS.IA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (07) :1596-&

[14] THEORETICAL INTERPRETATION OF BONDING, AND PHOTOELECTRON AND ULTRA-VIOLET SPECTRA OF SULPHUR DIOXIDE [J].

HILLIER, IH ;

SAUNDERS, VR .

MOLECULAR PHYSICS, 1971, 22 (02) :193-&

[15] ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].

HINZE, J ;

JAFFE, HH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&

[16] BOND ENERGIES IN COMPOUNDS OF NITROGEN OXYGEN + FLUORINE [J].

JOLLY, WL .

INORGANIC CHEMISTRY, 1964, 3 (03) :459-&

[17] ON CORRELATING PHOSPHORUS CORE BINDING-ENERGIES, PHOSPHORUS LONE PAIR IONIZATION-POTENTIALS, AND PROTON AFFINITIES OF TERVALENT PHOSPHORUS-COMPOUNDS [J].

LEE, TH ;

JOLLY, WL ;

BAKKE, AA ;

WEISS, R ;

VERKADE, JG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (08) :2631-2636

[18]

LINNETT JW, 1963, DISCUSS FARADAY SOC, V35, P226

[19] THE PRINCIPLE OF MAXIMUM OVERLAPPING [J].

MACCOLL, A .

TRANSACTIONS OF THE FARADAY SOCIETY, 1950, 46 (4-5) :369-374

[20]

MCGLYNN SP, 1972, INTRO APPLIED QUANTU, P112

← 1 2 3 →