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
[51]   INFRARED DIODE-LASER KINETIC SPECTROSCOPY OF THE NU-3 BAND OF C-3 [J].
MATSUMURA, K ;
KANAMORI, H ;
KAWAGUCHI, K ;
HIROTA, E .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (06) :3491-3494
[52]   SPECTROSCOPY AND DYNAMICS OF THE DIPOLE-BOUND STATE OF ACETALDEHYDE ENOLATE [J].
MEAD, RD ;
LYKKE, KR ;
LINEBERGER, WC ;
MARKS, J ;
BRAUMAN, JI .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (11) :4883-4892
[53]   DIODE-LASER SPECTROSCOPY OF GAS-PHASE C-5 - THE V3 FUNDAMENTAL AND ASSOCIATED HOT BANDS [J].
MOAZZENAHMADI, N ;
MCKELLAR, ARW ;
AMANO, T .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (04) :2140-2147
[54]  
MULLERDETHLEFS K, 1984, Z NATURFORSCH A, V39, P1089
[55]   HIGH-RESOLUTION ZERO KINETIC-ENERGY (ZEKE) PHOTOELECTRON-SPECTROSCOPY OF MOLECULAR-SYSTEMS [J].
MULLERDETHLEFS, K ;
SCHLAG, EW .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1991, 42 :109-136
[56]   2-COLOR PHOTOIONIZATION RESONANCE SPECTROSCOPY OF NO - COMPLETE SEPARATION OF ROTATIONAL LEVELS OF NO+ AT THE IONIZATION THRESHOLD [J].
MULLERDETHLEFS, K ;
SANDER, M ;
SCHLAG, EW .
CHEMICAL PHYSICS LETTERS, 1984, 112 (04) :291-294
[57]   THE ELECTRONIC AND MOLECULAR-STRUCTURE OF C-6 - COMPLETE ACTIVE SPACE SELF-CONSISTENT-FIELD AND MULTIREFERENCE CONFIGURATION-INTERACTION [J].
PARASUK, V ;
ALMLOF, J .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (02) :1137-1141
[58]   LARGE MOLECULES IN CARBON VAPOR [J].
PITZER, KS ;
CLEMENTI, E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1959, 81 (17) :4477-4485
[59]  
POLAK M, IN PRESS
[60]   STRUCTURES OF SMALL CARBON CLUSTERS - CYCLIC GROUND-STATE OF C-6 [J].
RAGHAVACHARI, K ;
WHITESIDE, RA ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) :6623-6628