Scaling of some chemical properties of tetrahedral and octahedral molecules plus almost spherical C and B cages

被引：1

作者：

March, N. H. ^{[2
,3
]}

Nagy, A. ^{[1
]}

机构：

[1] Univ Debrecen, Dept Theoret Phys, H-4010 Debrecen, Hungary

[2] Univ Antwerp, Dept Phys, B-2020 Antwerp, Belgium

[3] Univ Oxford, Oxford, England

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 2011年 / 49卷 / 10期

关键词：

Tetrahedral and octahedral molecules; Scaling; ENERGIES;

D O I：

10.1007/s10910-011-9885-5

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

It is shown that for tetrahedral and octahedral molecules the quantity aR(e)/N-1/3 is quadratic in the ratio z/N, where R-e is the equilibrium bond length, ze is the central charge and N is the total number of electrons. Some scaling properties for the 'breathing' force constant k are proposed for a series of 5 tetrachlorides.

引用

页码：2268 / 2274

页数：7

共 10 条

[1] Dependence of the π-electron eigenvalue sum on the number of atoms in almost spherical C cages -: art. no. 013210 [J].

Amovilli, C ;

Howard, IA ;

Klein, DJ ;

March, NH .

PHYSICAL REVIEW A, 2002, 66 (01) :132101-132105

[2] The March model applied to boron cages [J].

Amovilli, C ;

March, NH .

CHEMICAL PHYSICS LETTERS, 2001, 347 (4-6) :459-464

[3] Two-dimensional electrostatic analog of the March model of C60 with a semiquantitative application to planar ring clusters [J].

Amovilli, Claudio ;

March, Norman H. .

PHYSICAL REVIEW A, 2006, 73 (06)

[4]

Bowers W.A., 1953, J CHEM PHYS, V21, P117

[5] A statistical Method for Determining some Properties of the Atoms and its Application to the Theory of the periodic Table of Elements [J].

Fermi, E. .

ZEITSCHRIFT FUR PHYSIK, 1928, 48 (1-2) :73-79

[6]

Herzberg G., 1950, Molecular spectra and molecular structure. Vol. 2: Infrared and Raman spectra of polyatomic molecules, V2

[7] CHEMICAL-POTENTIAL, TELLERS THEOREM, AND THE SCALING OF ATOMIC AND MOLECULAR-ENERGIES [J].

MARCH, NH ;

PARR, RG .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-PHYSICAL SCIENCES, 1980, 77 (11) :6285-6288

[8]

MARCH NH, 1952, P CAMB PHILOS SOC, V48, P665

[9] DISSOCIATION-ENERGIES OF DIATOMIC-MOLECULES RELATED TO EQUILIBRIUM BOND LENGTHS [J].

MUCCI, JF ;

MARCH, NH .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (11) :5099-5101

[10] The calculation of atomic fields. [J].

Thomas, LH .

PROCEEDINGS OF THE CAMBRIDGE PHILOSOPHICAL SOCIETY, 1927, 23 :542-548

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