MATRIX-ISOLATION STUDY OF THE INTERACTION OF EXCITED NEON ATOMS WITH CF4 - INFRARED-SPECTRA OF CF3(+) AND CF3(-)

被引:39
作者
FORNEY, D
JACOX, ME
IRIKURA, KK
机构
[1] NAT INST STAND & TECHNOL, DIV MOLEC PHYS, GAITHERSBURG, MD 20899 USA
[2] NAT INST STAND & TECHNOL, DIV CHEM KINET & THERMODYNAM, GAITHERSBURG, MD 20899 USA
关键词
D O I
10.1063/1.468094
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
When a Ne:CF4 sample is codeposited at approximately 5 K with a beam of neon atoms that have been excited in a microwave discharge, the infrared spectrum of the resulting sample shows prominent absorptions of CF2 and CF3, as well as a complex absorption pattern between 1650 and 1670 cm-1. Earlier reports of the infrared spectrum of CF 3+ produced from various CF3X species and trapped in solid argon are consistent with the assignment of this group of absorptions to ν3 of CF3+. The prediction of those studies that the ν1+ν4 combination band of 12CF3+ should lie near 1625 cm-1 is confirmed. Supplementary observations on Ne:HCF3 and Ne:DCF 3 samples support these assignments, as well as that of the ν2(a″2) fundamental of CF3+ at 798.1 cm-1. Ab initio calculations of the structure and vibrational fundamentals of ground-state CF3+ are consistent with the tentative assignment of two infrared absorptions to that species.
引用
收藏
页码:8290 / 8296
页数:7
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