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首页> 外文期刊>The Astrophysical journal >CALCULATIONS ON THE FORMATION RATES AND MECHANISMS FOR C_nH ANIONS IN INTERSTELLAR AND CIRCUMSTELLAR MEDIA
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CALCULATIONS ON THE FORMATION RATES AND MECHANISMS FOR C_nH ANIONS IN INTERSTELLAR AND CIRCUMSTELLAR MEDIA

机译:星际和圆周介质中C_nH阴离子形成速率和机理的计算

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摘要

The rate coefficients for the radiative attachment reactions between the radicals C_nH (n = 2-8) and electrons have been calculated with the aid of quantum chemistry using a phase-space theory in which strong coupling exists among the ground and any excited anion electronic states with the same spin. The results confirm that the process increases in efficiency with the size of the radical. For n ≥ 6, the rate coefficients lie at the collisional limit, in agreement with earlier estimates. For n = 4,5, the new results are larger than the old estimates. The calculated rate coefficient for C_4H + e~- is now much too large to explain the current observed abundance ratio of C_4H~-/C_4H in IRC + 10216 and L1527 and its upper limit in TMC-1. It is quite possible that electronic coupling is weak, and that so-called "dipole-bound" and other states must act as doorways to radiative attachment. We have also calculated potential surfaces for dissociative attachment starting with the "carbenes" H_2C_(2m) (m = 2-4) and leading to the syntheses of the anions C_(2m)H~-.
机译:借助量子化学,使用相空间理论计算了基团C_nH(n = 2-8)与电子之间的辐射附着反应的速率系数,该相空间理论中的基态与任何激发的阴离子电子态之间都存在强耦合以相同的旋转。结果证实,该方法的效率随着自由基的大小而增加。对于n≥6,速率系数位于碰撞极限,与先前的估计一致。对于n = 4,5,新的结果大于旧的估计。现在计算出的C_4H + e〜-的速率系数太大,无法解释当前在IRC + 10216和L1527中观察到的C_4H〜-/ C_4H的丰度比以及在TMC-1中的上限。电子耦合很可能是弱的,所谓的“偶极约束”和其他状态必须充当辐射附着的门。我们还计算了从“卡宾” H_2C_(2m)(m = 2-4)开始并导致阴离子C_(2m)H〜-合成的解离连接的潜在表面。

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