【摘 要】
：
The title reaction proceeds via a one- and two-step mechanism along the 3A“ and 3A’ surfaces, respectively. The 3A’ excited state surface has a lower barrier
【机 构】
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Department of Chemistry Yunnan University,Department of Chemistry Yunnan University,Department of C
论文部分内容阅读
The title reaction proceeds via a one- and two-step mechanism along the 3A“ and 3A’ surfaces, respectively. The 3A’ excited state surface has a lower barrier than the 3A” ground state surface (11.6 and 16.0 kcal/mol, respectively). We suggest that, at low energies, the reaction proceeds along the A’ surface and then makes an intersystem crossing to the A“ surface and yields the ground state product VO+(3∑-), which may explain the small VO+ cross-section at low energies observed in the experiment
The 3A ’excited state surface has a lower barrier than the 3A ”ground state surface (11.6 and 16.0 kcal / mol , respectively). We suggest that, at low energies, the reaction proceeds along the A ’surface and then makes an intersystem crossing to the A "surface and yields the ground state product VO + (3Σ-), which may explain the small VO + cross-section at low energies observed in the experiment
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