CORRELATION BETWEEN THE VIBRATIONAL CORRECTION EPSILON AND THE EFFECTIVE MOMENT OF INERTIA

被引：36

作者：

DEMAISON, J ^{[1
]}

NEMES, L ^{[1
]}

机构：

[1] HUNGARIAN ACAD SCI,CENT RES INST CHEM,H-1025 BUDAPEST,HUNGARY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1979年 / 55卷 / 02期

关键词：

D O I：

10.1016/0022-2860(79)80219-7

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：

A correlation is found between the vibrational correction ε{lunate} = Io - Ie and the ground state moment of inertia Io using a statistical treatment of existing data. The following empirical correlations were established: log ε{lunate} = 0.611(10) log Io - 1.776(25) on the basis of 76 diatomic molecules and log ε{lunate} = 1.247(5) log Io - 2.651(13) on the basis of 61 polyatomic molecules. The origin and possible applications of this correlation are discussed. © 1979.

引用

页码：295 / 299

页数：5

共 22 条

[1] A Relation Between Internuclear Distances and Bond Force Constants
Badger, Richard M.
[J]. JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (03)
[2] TOWARD AN UNDERSTANDING OF POTENTIAL-ENERGY FUNCTIONS FOR DIATOMIC MOLECULES
BORKMAN, RF
PARR, RG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03) : 1116 - +
[3] QUANTITATIVE CORRELATIONS BETWEEN ROTATIONAL AND VIBRATIONAL SPECTROSCOPIC CONSTANTS IN DIATOMIC MOLECULES
CALDER, GV
RUEDENBERG, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (12) : 5399 - +
[4] Callomon J H., 1976, STRUCTURE DATA FREE, V7
[5] DETERMINATION OF MOLECULAR STRUCTURES FROM GROUND STATE ROTATIONAL CONSTANTS
COSTAIN, CC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (04) : 864 - 874
[6] RELATIONS BETWEEN MEAN AMPLITUDES OF VIBRATION AND CORRESPONDING INTERNUCLEAR DISTANCES .2. BONDED CARBON-CARBON DISTANCES
CYVIN, SJ
MASTRYUKOV, VS
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1976, 30 (02) : 333 - 337
[7] ORDER OF MAGNITUDE OF CENTRIFUGAL-DISTORTION CONSTANTS
DEMAISON, J
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1976, 31 (02) : 233 - 236
[8] Gordy W., 1970, MICROWAVE MOL SPECTR
[9] ANHARMONIC FORCE CONSTANT CALCULATIONS
HOY, AR
MILLS, IM
STREY, G
[J]. MOLECULAR PHYSICS, 1972, 24 (06) : 1265 - 1290
[10] KUCHITSU K, 1972, MOL STRUCTURES VIBRA

← 1 2 3 →