Faure A, Halvick P, Stoecklin T, Honvault P, Epée Epée M D, Mezei J Zs, Motapon O, Schneider I F, Tennyson J, Roncero O, Bulut N, Zanchet A
Univ. Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble, France.
Univ. Bordeaux, CNRS, ISM, F-33400 Talence, France.
Mon Not R Astron Soc. 2017 Jul;469(1):612-620. doi: 10.1093/mnras/stx892. Epub 2017 Apr 11.
We present a detailed theoretical study of the rotational excitation of CH due to reactive and nonreactive collisions involving C(), H, CH, H and free electrons. Specifically, the formation of CH proceeds through the reaction between C() and H( = 1, 2), while the collisional (de)excitation and destruction of CH is due to collisions with hydrogen atoms and free electrons. State-to-state and initial-state-specific rate coefficients are computed in the kinetic temperature range 10-3000 K for the inelastic, exchange, abstraction and dissociative recombination processes using accurate potential energy surfaces and the best scattering methods. Good agreement, within a factor of 2, is found between the experimental and theoretical thermal rate coefficients, except for the reaction of CH with H atoms at kinetic temperatures below 50 K. The full set of collisional and chemical data are then implemented in a radiative transfer model. Our Non-LTE calculations confirm that the formation pumping due to vibrationally excited H has a substantial effect on the excitation of CH in photon-dominated regions. In addition, we are able to reproduce, within error bars, the far-infrared observations of CH toward the Orion Bar and the planetary nebula NGC 7027. Our results further suggest that the population of = 2 might be significant in the photon-dominated region of NGC 7027.
我们对涉及C()、H、CH、H和自由电子的反应性和非反应性碰撞导致的CH转动激发进行了详细的理论研究。具体而言,CH的形成是通过C()与H( = 1, 2)之间的反应进行的,而CH的碰撞(去)激发和破坏则是由于与氢原子和自由电子的碰撞。使用精确的势能面和最佳散射方法,在10 - 3000 K的动力学温度范围内计算了非弹性、交换、提取和解离复合过程的态到态和初始态特定速率系数。除了在动力学温度低于50 K时CH与H原子的反应外,实验和理论热速率系数之间在2倍的因子范围内发现了良好的一致性。然后将全套碰撞和化学数据应用于辐射传输模型。我们的非局部热力学平衡(Non-LTE)计算证实,由于振动激发的H导致的形成泵浦对光子主导区域中CH的激发有显著影响。此外,我们能够在误差范围内重现朝向猎户座棒和行星状星云NGC 7027的CH的远红外观测结果。我们的结果进一步表明,在NGC