Infrared Spectroscopy Of Titanium Cation Acetylene Complexes: Cation-π Complexes Vs Reacted Structures

Batchelor, Anna G

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https://hdl.handle.net/2142/111502 Copy

Description

Title

Infrared Spectroscopy Of Titanium Cation Acetylene Complexes: Cation-π Complexes Vs Reacted Structures

Author(s)

Batchelor, Anna G

Contributor(s)

• Duncan, Michael A
• Marks, Joshua H

Issue Date

2021-06-24

Keyword(s)

Non-covalent interactions

Abstract

Titanium cation-acetylene complexes are investigated with infrared photodissociation spectroscopy to study latent reactivity. Ti$^{+}$(C$_{2}$H$_{2}$)$_{n}$ complexes are produced via laser vaporization of a titanium rod in a supersonic expansion of argon containing acetylene. Argon-tagged complexes are mass selected in a time-of-flight mass spectrometer and their spectra are measured in the C-H stretching region with infrared laser photodissociation. These spectra are assigned with the aid of B3LYP/Def2TZVP computations. The presence of reacted structures and cation-$\pi$ structures is investigated by comparing experiment to theory.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111502

DOI

10.15278/isms.2021.RD04

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