TRANSFERABILITY OF DIPOLE-MOMENT DERIVATIVES - CALCULATION OF ABSOLUTE ROTATIONAL CONTRIBUTIONS FOR SYMMETRICAL MOLECULES

被引：9

作者：

BODE, JHG ^{[1
]}

SMIT, WMA ^{[1
]}

VANSTRATEN, AJ ^{[1
]}

机构：

[1] UNIV UTRECHT,ANALYT CHEM LAB,NL-3522 AD UTRECHT,NETHERLANDS

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1979年 / 75卷 / 03期

关键词：

D O I：

10.1016/0022-2852(79)90092-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

It is shown that Polo's method for the calculation of the D-1 and G-1 matrices can be extended to the calculation of the absolute rotational contributions involved in the molecular dipole moment derivatives in terms of symmetry coordinates. The method applies to both stretching and bending modes. The method is outlined for AB3 (C3v) molecules. © 1979.

引用

页码：478 / 484

页数：7

共 10 条

[1] VIBRATIONAL INTENSITIES .2. THE USE OF ISOTOPES
CRAWFORD, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1952, 20 (06) : 977 - 981
[2] VIBRATIONAL INTENSITIES .8. CH3 AND CD3 CHLORIDE, BROMIDE, AND IODIDE
DICKSON, AD
MILLS, IM
CRAWFORD, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) : 445 - 455
[3] TRANSFERABILITY OF DIPOLE-MOMENT DERIVATIVES BETWEEN ISOTOPIC MOLECULES - REFERENCE MOLECULE
GUSSONI, M
ABBATE, S
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 62 (01) : 53 - 59
[4] INFRARED-ABSORPTION INTENSITIES - TRANSFERABILITY OF ELECTROOPTICAL PARAMETERS
GUSSONI, M
ABBATE, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (09) : 3439 - 3445
[5] DIPOLE-MOMENT DERIVATIVES AND INFRARED INTENSITIES .1. POLAR TENSORS
PERSON, WB
NEWTON, JH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) : 1040 - 1049
[6] MATRICES D-1 AND G-1 IN THE THEORY OF MOLECULAR VIBRATIONS
POLO, SR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) : 1133 - 1138
[7] SMIT WMA, 1978, J MOL SPECTROSC, V72, P180
[8] van Straten A. J., 1975, Journal of Molecular Spectroscopy, V56, P484, DOI 10.1016/0022-2852(75)90134-4
[9] RELATIONSHIPS BETWEEN IR INTENSITY FORMULATIONS - APPLICATION TO AMMONIA AND PHOSPHINE
VANSTRATEN, AJ
SMIT, WMA
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 65 (02) : 202 - 218
[10] BOND CHARGE PARAMETERS FROM INTEGRATED INFRARED INTENSITIES
VANSTRATEN, AJ
SMIT, WMA
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 62 (03) : 297 - 312

← 1 →