POTENTIAL-ENERGY CURVES OF LOW-LYING STATES OF HNO

被引：20

作者：

NOMURA, O

IWATA, S

机构：

[1] Institute of Physical and Chemical Research, Wako, Saitama

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 66卷 / 03期

关键词：

D O I：

10.1016/0009-2614(79)80330-9

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：

Potential energy curves of the ground and lowest excited states of HNO have been calculated using the configuration interaction method. In the ∼1A″ potential curve, a low but broad barrier was found before formation of the chemi-luminescing state of HNO. The barrier explains the breaking-off and broadening of the rotational structures of observed in the emission and absorption spectra, respectively, which Ramsay and co-workers had previously ascribed to predissociation. The calculated excitation of 13A″ agrees well with the experimental one. There is no crossing found between ∼1A″ and 13A″, contrary to speculation by some experimentalists. © 1979.

引用

页码：523 / 526

页数：4

共 20 条

[1] DETERMINATION OF RATES OF HYDROGEN-ATOM REACTION WITH NO BY A MODULATION TECHNIQUE [J].