On the ionization energies of C4H3 isomers

被引：17

作者：

Kaiser, Ralf I. ^{[1
]}

Mebel, Alexander ^{[2
]}

Kostko, Oleg ^{[3
]}

Ahmed, Musahid ^{[3
]}

机构：

[1] Univ Hawaii Manoa, Dept Chem, Honolulu, HI 96822 USA

[2] Florida Int Univ, Dept Chem, Miami, FL 33199 USA

[3] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA

来源：

CHEMICAL PHYSICS LETTERS | 2010年 / 485卷 / 4-6期

关键词：

QUADRATIC CONFIGURATION-INTERACTION; COUPLED-CLUSTER SINGLES; AB-INITIO CALCULATIONS; CROSSED-BEAM REACTION; HYDROCARBON MOLECULES; CHEMICAL-DYNAMICS; N-C4H3; FORMATION; CARBON-ATOMS; C(P-3(J)); THERMOCHEMISTRY;

D O I：

10.1016/j.cplett.2009.12.027

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：

We have investigated the ionization potentials of resonantly stabilized C4H3 radicals utilizing laser ablation of graphite in combination with seeding the ablated species in neat methylacetylene gas, which also reacted as a reagent. Photoionization efficiency (PIE) curves were recorded of photoionized isomers at the Advanced Light Source. The PIE curve suggests the formation of four C4H3 radicals: two acyclic structures i-C4H3 [1] and E/Z-n-C4H3 [2E/2Z] and two cyclic isomers 3 and 4. This study provides a novel interpretation of previous data on C4H3 radicals in hydrocarbon flames. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：281 / 285

页数：5

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