Wasowicz Tomasz J, Pranszke Bogusław
Department of Physics of Electronic Phenomena, Gdańsk University of Technology , ul. G. Narutowicza 11/12, 80-233 Gdańsk, Poland.
J Phys Chem A. 2015 Jan 29;119(4):581-9. doi: 10.1021/jp5105856. Epub 2015 Jan 17.
We have studied fragmentation processes of the gas-phase tetrahydrofuran (THF) molecules in collisions with the H(+), C(+), and O(+) cations. The collision energies have been varied between 25 and 1000 eV and thus covered a velocity range from 10 to 440 km/s. The following excited neutral fragments of THF have been observed: the atomic hydrogen H(n), n = 4-9, carbon atoms in the 2p3s (1)P1, 2p4p (1)D2, and 2p4p (3)P states and vibrationally and rotationally excited diatomic CH fragments in the A(2)Δ and B(2)Σ(-) states. Fragmentation yields of these excited fragments have been measured as functions of the projectile energy (velocity). Our results show that the fragmentation mechanism depends on the projectile cations and is dominated by electron transfer from tetrahydrofuran molecules to cations. It has been additionally hypothesized that in the C(+)+THF collisions a C-C4H8O complex is formed prior to dissociation. The possible reaction channels involved in fragmentation of THF under the H(+), C(+), and O(+) cations impact are also discussed.
我们研究了气相四氢呋喃（THF）分子与H(+)、C(+)和O(+)阳离子碰撞时的碎片化过程。碰撞能量在25至1000电子伏特之间变化，因此涵盖了10至440千米/秒的速度范围。已观察到以下THF的激发态中性碎片：原子氢H(n)，n = 4 - 9，处于2p3s (1)P1、2p4p (1)D2和2p4p (3)P态的碳原子，以及处于A(2)Δ和B(2)Σ(-)态的振动和转动激发的双原子CH碎片。已测量这些激发碎片的碎片化产率作为入射粒子能量（速度）的函数。我们的结果表明，碎片化机制取决于入射粒子阳离子，并且以从四氢呋喃分子到阳离子的电子转移为主导。此外，有人推测在C(+)+THF碰撞中，在解离之前会形成C - C4H8O络合物。还讨论了在H(+)、C(+)和O(+)阳离子撞击下THF碎片化所涉及的可能反应通道。
