Differentiating and Quantifying Gas-Phase Conformational Isomers Using Coulomb Explosion Imaging.
J Phys Chem Lett
; 11(23): 10205-10211, 2020 Dec 03.
Article
em En
| MEDLINE
| ID: mdl-33206545
ABSTRACT
Conformational isomerism plays a crucial role in defining the physical and chemical properties and biological activity of molecules ranging from simple organic compounds to complex biopolymers. However, it is often a significant challenge to differentiate and separate these isomers experimentally as they can easily interconvert due to their low rotational energy barrier. Here, we use the momentum correlation of fragment ions produced after inner-shell photoionization to distinguish conformational isomers of 1,2-dibromoethane (C2H4Br2). We demonstrate that the three-body breakup channel, C2H4+ + Br+ + Br+, contains signatures of both sequential and concerted breakup, which are decoupled to distinguish the geometries of two conformational isomers and to quantify their relative abundance. The sensitivity of our method to quantify these yields is established by measuring the relative abundance change with sample temperature, which agrees well with calculations. Our study paves the way for using Coulomb explosion imaging to track subtle molecular structural changes.
Texto completo:
1
Coleções:
01-internacional
Temas:
Agentes_cancerigenos
Base de dados:
MEDLINE
Assunto principal:
Dibrometo de Etileno
Idioma:
En
Revista:
J Phys Chem Lett
Ano de publicação:
2020
Tipo de documento:
Article
País de afiliação:
Estados Unidos