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- Title
(Noble Gas)<sub>n</sub>‐NC<sup> </sup> Molecular Ions in Noble Gas Matrices: Matrix Infrared Spectra and Electronic Structure Calculations.
- Authors
Tsegaw, Yetsedaw A.; Li, Hongmin; Andrews, Lester; Cho, Han‐Gook; Voßnacker, Patrick; Beckers, Helmut; Riedel, Sebastian
- Abstract
An investigation of pulsed‐laser‐ablated Zn, Cd and Hg metal atom reactions with HCN under excess argon during co‐deposition with laser‐ablated Hg atoms from a dental amalgam target also provided Hg emissions capable of photoionization of the CN photo‐dissociation product. A new band at 1933.4 cm−1 in the region of the CN and CN gas‐phase fundamental absorptions that appeared upon annealing the matrix to 20 K after sample deposition, and disappeared upon UV photolysis is assigned to (Ar)nCN , our key finding. It is not possible to determine the n coefficient exactly, but structure calculations suggest that one, two, three or four argon atoms can solvate the CN cation in an argon matrix with C−N absorptions calculated (B3LYP) to be between 2317.2 and 2319.8 cm−1. Similar bands were observed in solid krypton at 1920.5, in solid xenon at 1935.4 and in solid neon at 1947.8 cm−1. H13CN reagent gave an 1892.3 absorption with shift instead, and a 12/13 isotopic frequency ratio–nearly the same as found for 13CN itself in the gas phase and in the argon matrix. The CN molecular ion serves as a useful infrared probe to examine Ng clusters. The following ion reactions are believed to occur here: the first step upon sample deposition is assisted by a focused pulsed YAG laser, and the second step occurs on sample annealing: (Ar)2 CN→Ar CN →(Ar)nCN .
- Subjects
IONS; NOBLE gases; NEON; ELECTRONIC spectra; INFRARED spectra; ELECTRONIC structure
- Publication
Chemistry - A European Journal, 2022, Vol 28, Issue 5, p1
- ISSN
0947-6539
- Publication type
Academic Journal
- DOI
10.1002/chem.202103142