Semiempirical characterization of homonuclear diatomic ions: 6. Group VI and VII anions

被引:27
作者
Chen, ES [1 ]
Chen, ECM
机构
[1] Rice Univ, Ctr High Performance Software, Houston, TX 77005 USA
[2] Univ Houston, Houston, TX 77025 USA
关键词
D O I
10.1021/jp0268922
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
Sixteen Herschbach ionic Morse potential energy curves (HIMPEC) were classified using molecular ion formation M or dissociation D in a vertical transition. Two activation energies for thermal electron attachment to Cl-2, Br-2, and I-2 are reported from a reanalysis of electron-capture detector data. The HIMPEC for the diatomic halogens and oxygen are optimized by including new experimental data. All of the halogen curves are defined by at least three data points. Two new curves for the (2)Pi(g)(1/2) states of Br-2(-) and I-2(-) are constructed using a lower experimental dissociation energy. New electron-capture detector data for O-2 confirm multiple activation energies and electron affinities, E-a. The twelve M and twelve D curves for the 24 predicted anionic states of O-2 are calculated using E-a, vertical electron affinities, activation energies, frequencies, and estimated dissociation energies. Two curves are calculated from experimental data for anions Of S-2, Se-2, and Te-2.
引用
收藏
页码:169 / 177
页数:9
相关论文
共 50 条
[1]   ELECTRON-ATTACHMENT TO HALOGENS [J].
AYALA, JA ;
WENTWORTH, WE ;
CHEN, ECM .
JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (07) :768-777
[2]   SYMMETRY OF CL2-STAR RESONANT STATES FORMED IN DISSOCIATIVE ELECTRON-ATTACHMENT REACTION ON CL2 [J].
AZRIA, R ;
ABOUAF, R ;
TEILLETBILLY, D .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1982, 15 (16) :L569-L574
[3]   NEGATIVE-ION STATES OF MOLECULAR-IODINE [J].
AZRIA, R ;
ABOUAF, R ;
TEILLETBILLY, D .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1988, 21 (09) :L213-L217
[4]   Autodetachment from vibrational levels of the O(2)(-)A(2)Pi(u) resonance across its dissociation limit by photoexcitation from O(2)(-)X(2)Pi(g) [J].
Bailey, CG ;
Lavrich, DJ ;
Serxner, D ;
Johnson, MA .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (05) :1807-1814
[5]   Effects of morphology on the low-energy electron stimulated desorption of O- from O2 deposited on benzene and water ices [J].
Bass, AD ;
Parenteau, L ;
Weik, F ;
Sanche, L .
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (10) :4811-4818
[6]  
BATES DR, 1943, P ROY SOC LOND A MAT, V239, P33
[7]   COMPOUND STATE ELECTRON SPECTRA OF SIMPLE MOLECULES [J].
BONESS, MJW ;
HASTED, JB ;
LARKIN, IW .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1968, 305 (1483) :493-&
[8]   PHOTODETACHMENT OF O-2(-) [J].
BURCH, DS ;
SMITH, SJ ;
BRANSCOMB, LM .
PHYSICAL REVIEW, 1958, 112 (01) :171-175
[9]   SURVEY OF GAS-PHASE NEGATIVE-ION KINETICS OF INORGANIC MOLECULES - ELECTRON ATTACHMENT REACTIONS [J].
CALEDONIA, GE .
CHEMICAL REVIEWS, 1975, 75 (03) :333-351
[10]   LASER PHOTODETACHMENT DETERMINATION OF ELECTRON AFFINITIES OF OH, NH2, NH, SO2, AND S2 [J].
CELOTTA, RJ ;
BENNETT, RA ;
HALL, JL .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (05) :1740-1745