PENNING IONIZATION ELECTRON-SPECTROSCOPY OF DICHLOROTOLUENES AND TRICHLOROTOLUENES

被引:2
作者
FUJISAWA, S
OONISHI, I
MASUDA, S
OHNO, K
HARADA, Y
机构
[1] UNIV TOKYO,COLL ARTS & SCI,DEPT CHEM,TOKYO 153,JAPAN
[2] TOHO UNIV,FAC SCI,DEPT CHEM,FUNABASHI,CHIBA 274,JAPAN
[3] TOHO UNIV,FAC SCI,DEPT BIOMOLEC SCI,FUNABASHI,CHIBA 274,JAPAN
关键词
D O I
10.1021/j100194a022
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
He* (2(3)S) Penning ionization electron spectra (PIES) and He I ultraviolet photoelectron spectra (UPS) of some chlorotoluene derivatives, 2,4- and 3,4-dichlorotoluenes and 2,3,6- and 2,4,5-trichlorotoluenes, were measured. All the bands in the UPS were assigned on the basis of the characteristics of PIES and the results of ab initio molecular orbital (MO) calculations. The relative band intensities in the PIES strongly depend on the number of substituent Cl atoms and their positions relative to the methyl group. This effect was interpreted in terms of the spatial distribution of molecular orbitals.
引用
收藏
页码:6199 / 6203
页数:5
相关论文
共 12 条
[1]   PENNING IONIZATION ELECTRON-SPECTROSCOPY OF GROUP IVB TETRAMETHYL COMPOUNDS - (CH3)4C, (CH3)4SI(CH3)4, GE(CH3)4, SN(CH3)4, PB(CH3)4 [J].
AOYAMA, M ;
MASUDA, S ;
OHNO, K ;
HARADA, Y ;
YEW, MC ;
HUA, HH ;
YONG, LS .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (05) :1800-1805
[2]  
CERMAK V, 1966, J CHEM PHYS, V44, P3781
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[4]   PENNING IONIZATION ELECTRON-SPECTROSCOPY OF HALOGENOTOLUENES - ORTHO-, META-, AND PARA-CH3C6H4X (X = CL, BR, I) [J].
FUJISAWA, S ;
OONISHI, I ;
MASUDA, S ;
OHNO, K ;
HARADA, Y .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (15) :5742-5749
[5]   PENNING IONIZATION ELECTRON-SPECTROSCOPY OF MONOHALOGENOBENZENES - C6H5F, C6H5CL, C6H5BR, AND C6H5I [J].
FUJISAWA, S ;
OHNO, K ;
MASUDA, S ;
HARADA, Y .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (21) :6505-6511
[6]   PENNING IONIZATION ELECTRON-SPECTROSCOPY OF DICHLOROBENZENES [J].
FUJISAWA, S ;
OONISHI, I ;
MASUDA, S ;
OHNO, K ;
HARADA, Y .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (11) :4250-4254
[7]   PENNING IONIZATION ELECTRON-SPECTROSCOPY OF CO AND FE(CO)5 - STUDY OF ELECTRONIC-STRUCTURE OF FE(CO)5 FROM ELECTRON-DISTRIBUTION OF INDIVIDUAL MOLECULAR-ORBITALS [J].
HARADA, Y ;
OHNO, K ;
MUTOH, H .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (07) :3251-3255
[8]   REACTIONS OF EXCITED ATOMS AND MOLECULES WITH ATOMS AND MOLECULES .2. ENERGY ANALYSIS OF PENNING ELECTRONS [J].
HOTOP, H ;
NIEHAUS, A .
ZEITSCHRIFT FUR PHYSIK, 1969, 228 (01) :68-&
[9]  
KOSUGI N, 1981, PROGRAM GSCF2
[10]   APPLICATION OF PENNING IONIZATION ELECTRON-SPECTROSCOPY TO STEREOCHEMISTRY - STERIC SHIELDING EFFECT OF METHYL-GROUPS ON PENNING IONIZATION IN SUBSTITUTED ANILINES [J].
OHNO, K ;
FUJISAWA, S ;
MUTOH, H ;
HARADA, Y .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (04) :440-441