Electric deflection of imidazole dimers and trimers in helium nanodroplets: Dipole moments, structure, and fragmentation

Deuterated imidazole (IM) molecules, dimers, and trimers formed in liquid helium nanodroplets are studied by the electrostatic beam deflection method. Monitoring the deflection profile of (IM)D+ provides a direct way to establish that it is the primary product of the ionization-induced fragmentation...

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Bibliographic Details
Published in:The Journal of chemical physics 2020-08, Vol.153 (8), p.081101-081101
Main Authors: Kamerin, Benjamin S., Niman, John W., Kresin, Vitaly V.
Format: Article
Language:English
Subjects:
Deflection
Deuteration
Dimers
Dipole moments
Electric dipoles
Fragmentation
Helium
Imidazole
Liquid helium
Molecular structure
Trimers
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Summary:Deuterated imidazole (IM) molecules, dimers, and trimers formed in liquid helium nanodroplets are studied by the electrostatic beam deflection method. Monitoring the deflection profile of (IM)D+ provides a direct way to establish that it is the primary product of the ionization-induced fragmentation both of (IM)2 and (IM)3. The magnitude of the deflection determines the electric dipole moments of the parent clusters: nearly 9 D for the dimer and 14.5 D for the trimer. These very large dipole values confirm theoretical predictions and derive from a polar chain bonding arrangement of the heterocyclic imidazole molecules.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0020844