INFRARED PHOTODISSOCIATION SPECTROSCOPY OF COBALT CATION ACETYLENE COMPLEXES

Batchelor, Anna G

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https://hdl.handle.net/2142/122680 Copy

Description

Title

INFRARED PHOTODISSOCIATION SPECTROSCOPY OF COBALT CATION ACETYLENE COMPLEXES

Author(s)

Batchelor, Anna G

Contributor(s)

• Duncan, Michael A
• Ward, Timothy B
• Webster, Ian

Issue Date

2023-06-22

Keyword(s)

Vibrational structure/frequencies

Abstract

Cobalt cation-acetylene complexes are size-selected and studied with infrared laser photodissociation spectroscopy. Co⁺(C₂H₂)n complexes are produced via laser vaporization in a pulsed supersonic expansion of argon seeded with acetylene. These complexes are mass-selected in a reflectron time-of-flight mass spectrometer, and their infrared spectra are measured in the C–H stretching region (2800 - 3400 cm−¹) with photodissociation spectroscopy. A coordination number of three is found for cobalt cation. Density functional theory calculations are performed with the B3LYP functional with the Def2TZVP basis set to support experimental spectra. Bands are observed for both the asymmetric and symmetric stretch of acetylene and are red-shifted from those of free acetylene. The presence of reacted and cation-π structures is compared experiment to theory.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122680

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