STUDY OF C-6(-) AND C-6 WITH THRESHOLD PHOTODETACHMENT SPECTROSCOPY AND AUTODETACHMENT SPECTROSCOPY

被引:76
作者
ARNOLD, CC [1 ]
ZHAO, YX [1 ]
KITSOPOULOS, TN [1 ]
NEUMARK, DM [1 ]
机构
[1] LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
关键词
D O I
10.1063/1.463722
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 C6- anion and C6 neutral have been studied using both threshold photodetachment (zero electron kinetic energy) spectroscopy and autodetachment spectroscopy of C6-. The threshold photodetachment spectrum yields the electron affinity of linear C6 to high accuracy, along with the three symmetric stretch frequencies for linear C6 and the spin-orbit splitting in the ground 2PI(u) state of the anion. Two of the symmetric stretch frequencies are significantly lower than previous ab initio predictions. A simple model force field is used to calculate stretching force constants and estimate bond length changes between the anion and neutral. In addition, using autodetachment spectroscopy, we have located an excited electronic state of C6- that lies 43 cm-1 below the detachment threshold. This state is very similar in geometry to neutral C6. Excited vibrational levels of this state autodetach with rates that depend strongly on the available autodetachment channels. The excited state is tentatively assigned to a valence state, rather than an electrostatically bound state.
引用
收藏
页码:6121 / 6135
页数:15
相关论文
共 82 条
[1]   VIBRATION-INDUCED ELECTRON DETACHMENT IN MOLECULAR ANIONS [J].
ACHARYA, PK ;
KENDALL, RA ;
SIMONS, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (12) :3402-3407
[2]   STABLE AND METASTABLE PHOTOEXCITATIONS OF LINEAR C-6- - THEORETICAL-STUDY [J].
ADAMOWICZ, L .
CHEMICAL PHYSICS LETTERS, 1991, 182 (01) :45-50
[3]  
ALGRANATI M, 1990, ISRAEL J CHEM, V30, P79
[4]   VIBRATIONALLY RESOLVED SPECTRA OF C2-C-11 BY ANION PHOTOELECTRON-SPECTROSCOPY [J].
ARNOLD, DW ;
BRADFORTH, SE ;
KITSOPOULOS, TN ;
NEUMARK, DM .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (12) :8753-8764
[5]   Photoionization resonance studies with a steradiancy analyzer. II. The Photoionization of CH3I [J].
Baer, Tomas ;
Peatman, W. B. ;
Schlag, E. W. .
CHEMICAL PHYSICS LETTERS, 1969, 4 (05) :243-247
[6]   BEAM-MODULATED TIME-OF-FLIGHT MASS-SPECTROMETER .2. EXPERIMENTAL WORK [J].
BAKKER, JMB .
JOURNAL OF PHYSICS E-SCIENTIFIC INSTRUMENTS, 1974, 7 (05) :364-368
[7]   BEAM-MODULATED TIME-OF-FLIGHT MASS-SPECTROMETER .1. THEORETICAL CONSIDERATIONS [J].
BAKKER, JMB .
JOURNAL OF PHYSICS E-SCIENTIFIC INSTRUMENTS, 1973, 6 (08) :785-789
[8]   The ionization of molecules near threshold [J].
Bardsley, J. N. .
CHEMICAL PHYSICS LETTERS, 1967, 1 (05) :229-232
[9]   DETECTION OF C-5 IN THE CIRCUMSTELLAR SHELL OF IRC+10216 [J].
BERNATH, PF ;
HINKLE, KH ;
KEADY, JJ .
SCIENCE, 1989, 244 (4904) :562-564
[10]   DYNAMIC COUPLING PHENOMENA IN MOLECULAR EXCITED STATES .2. AUTOIONIZATION AND PREDISSOCIATION IN H2, HD, AND D2 [J].
BERRY, RS ;
NIELSEN, SE .
PHYSICAL REVIEW A, 1970, 1 (02) :395-&