TEMPORARY ANION STATES IN THE CHLOROMETHANES AND IN MONOCHLOROALKANES

被引:67
作者
GUERRA, M
JONES, D
DISTEFANO, G
SCAGNOLARI, F
MODELLI, A
机构
[1] UNIV FERRARA,DIPARTMENTO CHIM,I-44100 FERRARA,ITALY
[2] UNIV BOLOGNA,DIPARTIMENTO CHIM G CIAMICIAN,I-40126 BOLOGNA,ITALY
关键词
D O I
10.1063/1.460364
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
The resonance energies for electron attachment to the chloromethanes are evaluated by means of bound and continuum multiple scattering X-alpha calculations. The results closely reproduce the experimental electron transmission spectroscopy data and confirm their previous assignment. Electron transmission and dissociative attachment spectra of monochloroalkanes are also reported, in order to obtain information on the effects of branching at the substituted carbon atom and of alkyl chain length on the resonance and chlorine anion production energies.
引用
收藏
页码:484 / 490
页数:7
相关论文
共 41 条
[1]   ATOM DIPOLE INTERACTION MODEL FOR MOLECULAR POLARIZABILITY - APPLICATION TO POLYATOMIC-MOLECULES AND DETERMINATION OF ATOM POLARIZABILITIES [J].
APPLEQUIST, J ;
CARL, JR ;
FUNG, KK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) :2952-+
[2]  
BENASSI R, 1986, CHEM PHYS LETT, V161, P89
[3]   THE CORRELATION BETWEEN ELECTRON TRANSMISSION AND INNER SHELL ELECTRON-EXCITATION SPECTRA [J].
BENITEZ, A ;
MOORE, JH ;
TOSSELL, JA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (11) :6691-6698
[4]   TEMPORARY SIGMA-ANIONS AND PI-ANIONS OF THE CHLOROETHYLENES AND CHLOROFLUOROETHYLENES [J].
BURROW, PD ;
MODELLI, A ;
CHIU, NS ;
JORDAN, KD .
CHEMICAL PHYSICS LETTERS, 1981, 82 (02) :270-276
[5]   TEMPORARY NEGATIVE-IONS IN THE CHLOROMETHANES CHCL2F AND CCL2F2 - CHARACTERIZATION OF THE SIGMA-STAR ORBITALS [J].
BURROW, PD ;
MODELLI, A ;
CHIU, NS ;
JORDAN, KD .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (05) :2699-2701
[6]  
BURROW PD, COMMUNICATION
[7]   USE OF THE X-ALPHA-METHOD FOR THE CHARACTERIZATION OF TEMPORARY NEGATIVE-IONS OF BENZENE AND SUBSTITUTED BENZENES [J].
CHAO, JSY ;
JORDAN, KD .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (22) :5578-5582
[8]   DISSOCIATIVE ATTACHMENT OF ELECTRONS IN THE CHLOROMETHANES [J].
CHU, SC ;
BURROW, PD .
CHEMICAL PHYSICS LETTERS, 1990, 172 (01) :17-22
[9]   S-WAVE THRESHOLD IN ELECTRON-ATTACHMENT - OBSERVATIONS AND CROSS-SECTIONS IN CCL4 AND SF6 AT ULTRALOW ELECTRON ENERGIES [J].
CHUTJIAN, A ;
ALAJAJIAN, SH .
PHYSICAL REVIEW A, 1985, 31 (05) :2885-2892
[10]   THEORY OF VIBRATIONALLY INELASTIC ELECTRON-SCATTERING FROM ORIENTED MOLECULES [J].
DAVENPORT, JW ;
HO, W ;
SCHRIEFFER, JR .
PHYSICAL REVIEW B, 1978, 17 (08) :3115-3127