THEORETICAL POTENTIAL CURVES FOR THE A2-PI AND X2-SIGMA+ STATES OF NO2+ AND AN EXPERIMENTAL SEARCH FOR THE A-X TRANSITION

被引：21

作者：

PETTERSSON, LGM

SIEGBAHN, PEM

BROSTROM, L

MANNERVIK, S

LARSSON, M

机构：

[1] MANNE SIEGBAHN INST PHYS,S-10405 STOCKHOLM,SWEDEN

[2] KTH,DEPT PHYS 1,S-10044 STOCKHOLM,SWEDEN

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 191卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(92)85301-P

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 curves for the X (2)SIGMA+ and A (2)PI states of NO2+ have been calculated using large ANO basis sets including g functions and CASSCF/second-order ACPF methods. On the basis of these calculations resonant photodissociation of NO2+ via the A (2)PI-X (2)SIGMA+ transition has been searched for by means of a collinear fast ion beam laser apparatus. The failure to observe the A-X transition is discussed.

引用

页码：279 / 286

页数：8

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[1] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J].