VIBRATIONAL-SPECTRA OF 1,2,3-TRIAZINE

被引:9
作者
FISCHER, G [1 ]
NWANKWOALA, AU [1 ]
OLLIFF, MP [1 ]
SCOTT, AP [1 ]
机构
[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA,ACT 2601,AUSTRALIA
关键词
D O I
10.1006/jmsp.1993.1244
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 infrared and Raman spectra of 1,2,3-triazine have been measured. On the bases of ab initio molecular orbital calculations carried out using the GAUSSIAN 92 program and a Urey-Bradley normal coordinate treatment the assignments of the vibrational frequencies have been established. © 1993 Academic Press, Inc.
引用
收藏
页码:388 / 395
页数:8
相关论文
共 13 条
[1]  
[Anonymous], 1986, AB INITIO MOL ORBITA
[2]   MNDO SEMIEMPIRICAL AND 4-31G ABINITIO SCF-MO CALCULATIONS OF HETEROAROMATIC-COMPOUNDS [J].
FOS, E ;
VILARRASA, J ;
FERNANDEZ, J .
JOURNAL OF ORGANIC CHEMISTRY, 1985, 50 (24) :4894-4899
[3]  
Frisch M.J., 1992, GAUSSIAN 92 REVISION
[4]   ELECTRONIC STATES OF AZABENZENES AND AZANAPHTHALENES - A REVISED AND EXTENDED CRITICAL-REVIEW [J].
INNES, KK ;
ROSS, IG ;
MOOMAW, WR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1988, 132 (02) :492-544
[5]   NORMAL COORDINATE ANALYSIS OF S-TETRAZINE IN MODIFIED UREY-BRADLEY FORCE-FIELD [J].
KAWAGUCHI, Y ;
MANN, RH .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1975, 31 (08) :979-984
[6]  
NEUNHOEFFER H, 1985, LIEBIGS ANN CHEM, P1732
[7]  
Neunhoeffer H., 1984, COMPREHENSIVE HETERO, V3
[8]   1,2,3-TRIAZINE [J].
OHSAWA, A ;
ARAI, H ;
OHNISHI, H ;
IGETA, H .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1981, (22) :1174-1174
[9]  
OKATANI T, 1989, HETEROCYCLES, V29, P1809
[10]   TRANSFERABILITY OF UREY-BRADLEY FORCE CONSTANTS .1. CALCULATION OF FORCE CONSTANTS ON A DIGITAL COMPUTER [J].
OVEREND, J ;
SCHERER, JR .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (05) :1289-1295