Gas Phase C6H6− Anion: Electronic Stabilization by Opening of the Benzene Ring

0564997 - ÚFCH JH 2023 RIV US eng J - Článek v odborném periodiku
Pysanenko, Andriy - Vinklárek, Ivo S. - Fedor, Juraj - Fárník, Michal - Bergmeister, S. - Košťál, Vojtěch - Nemirovich, Tatiana - Jungwirth, Pavel
Gas Phase C6H6− Anion: Electronic Stabilization by Opening of the Benzene Ring.
Journal of Chemical Physics. Roč. 157, č. 22 (2022), č. článku 224306. ISSN 0021-9606. E-ISSN 1089-7690
Grant CEP: GA ČR(CZ) GA21-07062S; GA MŠMT EF16_026/0008382; GA MŠMT(CZ) EF16_019/0000729
Grant ostatní: Ministerstvo školství, mládeže a tělovýchovy - GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_026/0008382
Institucionální podpora: RVO:61388955 ; RVO:61388963
Klíčová slova: benzene clusters * electronic structure * mass spectra
Obor OECD: Physical chemistry; Physical chemistry (UOCHB-X)
Impakt faktor: 4.4, rok: 2022
Způsob publikování: Open access

It is well established that an isolated benzene radical anion is not electronically stable. In the present study, we experimentally show that electron attachment to benzene clusters leads to weak albeit unequivocal occurrence of a C6H−6 moiety. We propose here—based on electronic structure calculation—that this moiety actually corresponds to linear structures formed by the opening of the benzene ring via electron attachment. The cluster environment is essential in this process since it quenches the internal energy released upon ring opening, which in the gas phase leads to further dissociation of this anion.
Trvalý link: https://hdl.handle.net/11104/0337491