THE EQUILIBRIUM GEOMETRY OF HOSI+

被引：19

作者：

BOTSCHWINA, P ^{[1
]}

OSWALD, M ^{[1
]}

SEBALD, P ^{[1
]}

机构：

[1] UNIV KAISERSLAUTERN,FACHBEREICH CHEM,W-6750 KAISERSLAUTERN,GERMANY

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1992年 / 155卷 / 02期

关键词：

D O I：

10.1016/0022-2852(92)90525-S

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：

The equilibrium bond lengths of linear HOSi+ have been calculated by combination of experimental and ab initio data to be re = 0.9616(10) A ̊ and Re = 1.5302(3) A ̊, where somewhat conservative error estimates are given in parentheses. Rather unusual for a linear triatomic molecule, the vibration-rotation coupling constant α2 was found to be positive for HOSi+, whereas deuterium substitution leads to the common negative sign. The bending vibrational wavenumber of HOSi+ is predicted to be 373 cm-1, with an uncertainty of ca. 10 cm-1. © 1992.

引用

页码：360 / 364

页数：5

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