A MOLECULAR CAGE REPORTS ON ITS CONTENTS: THE INFRARED AND ULTRAVIOLET SPECTRA OF [2.2.2]BENZOCRYPTAND COMPLEXED WITH K⁺, Ba²⁺, AND THE ION PAIR Ba²⁺-ACETATE-

Lee, Chin

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Title

A MOLECULAR CAGE REPORTS ON ITS CONTENTS: THE INFRARED AND ULTRAVIOLET SPECTRA OF [2.2.2]BENZOCRYPTAND COMPLEXED WITH K⁺, Ba²⁺, AND THE ION PAIR Ba²⁺-ACETATE-

Author(s)

Lee, Chin

Contributor(s)

• Zwier, Timothy S.
• Sibert, Edwin
• Au, Kendrew
• Foley, Casey Daniel

Issue Date

2023-06-21

Keyword(s)

Mini-symposium: Spectroscopy with Cryogenic Ion Traps

Abstract

Cryptands are 3D molecular cages that initiated the field of supramolecular chemistry. They feature three ether bridges capped on either end by a tertiary amine, leading to a structure in which six oxygens and two nitrogens can bind to cations that fit inside the cage. We incorporate a phenyl ring in one of the ether bridges, forming [2.2.2]benzocryptand, in order to have an ultraviolet chromophore for our studies. Investigated complexes include benzocryptand with metal cations of potassium, barium and ion pair of barium-acetate. We will describe our results on the UV photofragment spectroscopy and IR-UV double resonance spectra that provide single-conformation IR spectra of the complexes under cryo-cooled conditions. In each case, there is a single dominant conformation of the complex. IR spectra in the alkyl CH stretch region are surprisingly sensitive to the ion in the cage, and to an anion binding to this caged cation.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122649

DOI

https://doi.org/10.15278/isms.2023.7173

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