Sequential Reactions of Acetylene with the Benzonitrile Radical Cation: New Insights into Structures and Rate Coefficients of the Covalent Ion Products.

ABSTRACT: Benzonitrile radical cations generated in ionizing environments such as solar nebulae and interstellar clouds can react with neutral molecules such as acetylene to form a variety of nitrogen-containing complex organics. Herein, we present results from mass-selected ion mobility experiments and coupled-cluster and DFT calculations for the sequential reactions of acetylene with the benzonitrile radical cation (C₇NH₅^+•). The results reveal the formation of two covalently bonded adduct ions C₉NH₇^+• and C₁₁NH₉^+• with individual rate coefficients of 2.1(±0.4) × 10^-11 cm³ s^-1 and 1.1(±0.9) × 10^-11 cm³ s^-1, respectively measured at 334

SUBMITTER: Sutton P 

PROVIDER: S-EPMC11552070 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature