ON THE DISSOCIATION-ENERGY OF NF(CHI-EPSILON-3-)

被引：21
作者：
MONTGOMERY, JA
PETERSSON, GA
ALLAHAM, MA
MANTZARIS, J
机构：
[1] WESLEYAN UNIV,HALL ATWATER LABS CHEM,MIDDLETOWN,CT 06457
[2] CENT CONNECTICUT STATE UNIV,DEPT CHEM,NEW BRITAIN,CT 06050
来源：
CHEMICAL PHYSICS LETTERS | 1990年 / 169卷 / 06期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1016/0009-2614(90)85637-R
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：
Ab initio calculations, including extrapolation to the complete basis set limit, are reported for the dissociation energy of NF(X 3Σ-). The results of these calculations give D0(NF)=76.1±0.9 kcal/mol. © 1990.
引用
收藏
页码：497 / 500
页数：4
相关论文
共 26 条
[1]   PRODUCTION OF NF(A1-DELTA) BY DISSOCIATION OF FLUORINE AZIDE [J].
BENARD, DJ ;
WINKER, BK ;
SEDER, TA ;
COHN, RH .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (12) :4790-4796
[2]   ELECTRONIC-STRUCTURE OF THE RADICALS-NF AND NCL .1. POTENTIAL-ENERGY CURVES FOR NF [J].
BETTENDORFF, M ;
PEYERIMHOFF, SD .
CHEMICAL PHYSICS, 1985, 99 (01) :55-72
[3]  
CHASE MW, 1985, J PHYS CHEM REF D S1, V11
[4]   Electronic energy transfer processes in fluorine-containing radicals: Singlet NF [J].
Clyne, M. A. A. ;
White, I. F. .
CHEMICAL PHYSICS LETTERS, 1970, 6 (05) :465-467
[5]   BETA1SIGMA+-X3SIGMA- BAND SYSTEM OF NF [J].
DOUGLAS, AE ;
JONES, WE .
CANADIAN JOURNAL OF PHYSICS, 1966, 44 (10) :2251-&
[6]   A LOWER LIMIT FOR DELTA-H-FO(NF) AND THE EXCITATION TRANSFER-REACTIONS OF N2(A3-SIGMA-U+) WITH NCO(X-2-PI-I) AND NF(X-3-SIGMA-) [J].
DU, KY ;
SETSER, DW .
CHEMICAL PHYSICS LETTERS, 1988, 153 (05) :393-400
[7]   THE F + HN3 SYSTEM - A CHEMICAL SOURCE FOR NF(A1-DELTA) [J].
HABDAS, J ;
WATEGAONKAR, S ;
SETSER, DW .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (02) :451-458
[8]  
Huber K. P., 1979, CONSTANTS DIATOMIC M, DOI DOI 10.1007/978-1-4757-0961-2_2
[9]  
KLOPPER W, 1989, STUD PHYS THEO CHEM, V62, P45
[10]   MOLLER-PLESSET CALCULATIONS TAKING CARE OF THE CORRELATION CUSP [J].
KLOPPER, W ;
KUTZELNIGG, W .
CHEMICAL PHYSICS LETTERS, 1987, 134 (01) :17-22
123