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Main Title: Collision-assisted stripping for determination of microsolvation-dependent protonation sites in hydrated clusters by cryogenic ion trap infrared spectroscopy: the case of benzocaineH+(H2O)n
Author(s): Hirata, Keisuke
Haddad, Fuad
Dopfer, Otto
Ishiuchi, Shun-ichi
Fujii, Masaaki
Type: Article
Abstract: The protonation site of molecules can be varied by their surrounding environment. Gas-phase studies, including the popular techniques of infrared spectroscopy and ion mobility spectrometry, are a powerful tool for the determination of protonation sites in solvated clusters but often suffer from inherent limits for larger hydrated clusters. Here, we present collision-assisted stripping infrared (CAS-IR) spectroscopy as a new technique to overcome these problems and apply it in a proof-of-principle experiment to hydrated clusters of protonated benzocaine (H+BC), which shows protonation-site switching depending on the degree of hydration. The most stable protomer of H+BC in the gas phase (O-protonated) is interconverted into its most stable protomer in aqueous solution (N-protonated) upon hydration with three water molecules. CAS-IR spectroscopy enables us to unambiguously assign protonation sites and quantitatively determine the relative abundance of various protomers.
Subject(s): hydrated clusters
cryogenic ion trap
Issue Date: 18-Feb-2022
Date Available: 11-May-2022
Language Code: en
DDC Class: 540 Chemie und zugeordnete Wissenschaften
Sponsor/Funder: TU Berlin, Open-Access-Mittel – 2022
Journal Title: Physical Chemistry, Chemical Physics
Publisher: Royal Society of Chemistry
Volume: 24
Issue: 10
Publisher DOI: 10.1039/D1CP05762F
Page Start: 5774
Page End: 5779
EISSN: 1463-9084
ISSN: 1463-9076
TU Affiliation(s): Fak. 2 Mathematik und Naturwissenschaften » Inst. Optik und Atomare Physik
Appears in Collections:Technische Universität Berlin » Publications

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