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‡

Literature Information

Publication Date 2022-02-18
DOI 10.1039/D1CP05762F
Impact Factor 3.676
Authors

Fuad Haddad


View Original

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.

Related Literature

The first amphiphilic graft copolymer bearing a hydrophilic poly(2-hydroxylethyl acrylate) backbone synthesized by successive RAFT and ATRP

Xiuyu Jiang, Xue Jiang, Guolin Lu, Chun Feng, Xiaoyu Huang

2014-05-20 Paper

DOI: 10.1039/C4PY00415A

Thermoresponsive properties of 3-, 4-, 6-, and 12-armed star-shaped poly[2-(dimethylamino)ethyl methacrylate]s prepared by core-first group transfer polymerization

Seiya Kikuchi, Yougen Chen, Keita Fuchise, Kenji Takada, Junsuke Kitakado, Shin-ichiro Sato, Toshifumi Satoh, Toyoji Kakuchi

2014-04-09 Paper

DOI: 10.1039/C4PY00290C

Back cover

Cover

DOI: 10.1039/C4PY90061H

Multi-responsive protein nanocarriers from an anionic dynamic covalent copolymer

Xiaobei Wang, Lin Wang, Shixia Yang, Hanying Zhao

2014-04-22 Paper

DOI: 10.1039/C4PY00117F

Multi-stimuli responsive poly(azodibenzo-18-crown-6-ether)s

S. Wiktorowicz, H. Tenhu, V. Aseyev

2014-04-16 Paper

DOI: 10.1039/C4PY00298A

Synthesis of core cross-linked star polystyrene with functional end groups and self-assemblies templated by breath figures

Liang-Wei Zhu, Wu Yang, Ling-Shu Wan, Zhi-Kang Xu

2014-05-14 Paper

DOI: 10.1039/C4PY00491D

Fast and accurate partial hydrolysis of poly(2-ethyl-2-oxazoline) into tailored linear polyethylenimine copolymers

Victor R. de la Rosa, Eva Bauwens, Bryn D. Monnery, Bruno G. De Geest, Richard Hoogenboom

2014-04-11 Paper

DOI: 10.1039/C4PY00355A

Highly pH-sensitive polyurethane exhibiting shape memory and drug release

Ying Li, Ye Liu, Tao Gong, Lin Wang, Shaobing Zhou

2014-05-02 Paper

DOI: 10.1039/C4PY00474D

High performance polymer solar cells based on a two dimensional conjugated polymer from alkylthienyl-substituted benzodifuran and benzothiadiazole

Beibei Qiu, Xuewen Chen, Lu Xiao, Yongfang Li, Yuehui He, Lihui Jiang

2014-05-02 Paper

DOI: 10.1039/C4PY00392F

Macromolecular covalently cross-linked quaternary ammonium poly(ether ether ketone) with polybenzimidazole for anhydrous high temperature proton exchange membranes

Na Zhang, Chengji Zhao, Wenjia Ma, Shuang Wang, Baolong Wang, Gang Zhang, Xuefeng Li, Hui Na

2014-04-14 Paper

DOI: 10.1039/C4PY00234B

You might also like

Compound Q&A

What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?

When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...

16712-20-2Lithium chloride hyd...
Compound Q&A

Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?

4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...

690261-92-84-(4H-1,2,4-Triazol-...
Compound Q&A

How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?

Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...

16733-85-01,3-Thiazole-2-carbo...
Compound Q&A

What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?

5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...

934175-58-35-(Difluoromethyl)-2...
Compound Q&A

How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?

Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...

22288-79-5Methyl 3-acetamido-2...
Compound Q&A

What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?

4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...

34846-65-64-Isoquinolinecarbon...
Compound Q&A

How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?

Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...

877309-59-6Methyl 1H-1,2,3-tria...
Compound Q&A

What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?

6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...

1160791-13-86-Bromo[1,3]thiazolo...
Compound Q&A

Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?

(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...

23651-95-8(2S,3S)-2-Ammonio-3-...
Compound Q&A

What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?

7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....

1293987-84-47-bromo-3-methyl-3,4...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.