Infrared Photodissociation Spectroscopy Of Platinum-cation Acetylene Complexes
Batchelor, Anna G.
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https://hdl.handle.net/2142/116828
Description
Title
Infrared Photodissociation Spectroscopy Of Platinum-cation Acetylene Complexes
Author(s)
Batchelor, Anna G.
Contributor(s)
Duncan, Michael A.
Ward, Timothy B.
Marks, Joshua H.
Issue Date
2022-06-20
Keyword(s)
Comparing theory and experiment
Abstract
Pt$^{+}$(C$_{2}$H$_{2}$)$_{n}$ (n = 1 – 9) complexes are studied with tunable infrared laser photodissociation spectroscopy. These complexes are produced with laser vaporization of a platinum rod in a pulsed supersonic expansion of argon seeded with acetylene. Argon-tagged and tag-free complexes are then mass-selected in a specially made reflectron time-of-flight mass spectrometer, and their spectra are measured in the C – H stretching region (2800 – 3400 cm$^{-1}$) with infrared laser photodissociation spectroscopy. A coordination number of three acetylenes is found for platinum-cation. The experimental spectra are assigned using B3LYP/DEF2TZVP with an effective core potential on platinum. Peaks for the asymmetric and normally forbidden symmetric stretch of acetylene are red shifted from free acetylene molecules. The presence of cation – pi complexes and reacted structures is investigated by comparing experiment to theory.
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