Neutral-neutral reactions for the formation of C3O and C3S |
| |
| Authors: | Haider Abbas |
| |
| Institution: | 1. Department of Physics, Manav Rachna College of Engineering, Faridabad, Haryana, India
|
| |
| Abstract: | We investigate, neutral-neutral radiative association reactions (C2+CO) and (C2+CS) for the formation of C3O and C3S respectively by DFT. Both the reactions are spin allowed and found to be exothermic and barrierless in nature. The product of these reactions are perfectly linear and the calculated rotational transitions are in good agreement with earlier published data. At the DFT/TZ2P level, the difference between the calculated rotational constant and experimental one is 0.064 % for C3O and 0.16 % for C3S. We also discussed the intrinsic and relative stability of these molecules. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
