Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study-Reference-Cited by-同舟云学术

Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study

Published:2022 Issue:32 Volume:24 Page:19302-19313
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wasowicz T. J.¹^ORCID,Ljubić I.²^ORCID,Kivimäki A.³⁴^ORCID,Richter R.⁵^ORCID

Affiliation:

1. Division of Complex Systems Spectroscopy, Institute of Physics and Applied Computer Science, Faculty of Applied Physics and Mathematics, Gdansk University of Technology, ul. G. Narutowicza 11/122, 80-233 Gdańsk, Poland

2. Department of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, HR-10000 Zagreb, Croatia

3. MAX IV Laboratory, Lund University, P.O. Box 118, 22100 Lund, Sweden

4. Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 3000, 90014 Oulu, Finland

5. Elettra – Sincrotrone Trieste, Area Science Park Basovizza, 34149 Trieste, Italy

Abstract

The near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured at the C, N, and O K-edges and interpreted using the time-dependent density functional theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02366K

Reference52 articles.

1. Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules

2. The recent progress of isoxazole in medicinal chemistry

3. Oxazole and Isoxazole Chemistry in Crop Protection

4. Isoxazole ring as a useful scaffold in a search for new therapeutic agents

5. Isoxazole Derivatives as Regulators of Immune Functions

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