A photoelectron-photoion coincidence study of the ICH2CN ion dissociation:: Thermochemistry of •CH2CN, +CH2CN, and ICH2CN

被引：21

作者：

Lafleur, RD ^{[1
]}

Szatary, B ^{[1
]}

Baer, T ^{[1
]}

机构：

[1] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 07期

关键词：

D O I：

10.1021/jp993569z

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 dissociation energies and dissociation dynamics of iodoacetonitrile (ICH2CN) have been investigated by the photoelectron photoion coincidence (PEPICO) spectroscopy technique. The 0 K onsets for the following products were determined: +CH2CN + I-. (12.188 +/- 0.005 eV) and (CH2CN)-C-. + I+ (12.345 +/- 0.010 eV). From the difference between these two values the ionization energy of the (CH2CN)-C-. was found to be 10.294 + 0.010 eV. By using a thermodynamic cycle that involves the gas phase acidity of CH3CN, the election affinity of the (CH2CN)-C-. radical, and an accurate heat of formation of acetonitrile, a Delta(f)H degrees(298)(ICP2CN) of 172.5 +/- 4.0 kJ mol(-1) is derived. This latter value is considerably higher than the best theoretical value of 153 kJ mol(-1).

引用

页码：1450 / 1455

页数：6

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