An experimental NEXAFS and computational TDDFT and ΔDFT study of the gas-phase core excitation spectra of nitroxide free radical TEMPO and its analogues-Reference-Cited by-同舟云学术

An experimental NEXAFS and computational TDDFT and ΔDFT study of the gas-phase core excitation spectra of nitroxide free radical TEMPO and its analogues

Published:2016 Issue:15 Volume:18 Page:10207-10217
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ljubić Ivan¹²³⁴,Kivimäki Antti⁵⁶⁷⁸,Coreno Marcello⁹⁷⁸

Affiliation:

1. Department of Physical Chemistry

2. Ruđer Bošković Institute

3. HR-10000 Zagreb

4. Croatia

5. CNR-IOM

6. Laboratorio Nazionale TASC

7. 34149 Trieste

8. Italy

9. CNR-ISM

Abstract

Core excitation (NEXAFS) C 1s, N 1s, and O 1s gas-phase spectra of stable nitroxide free radical TEMPO and two of its amide-substituted analogues are assigned from the onset of the absorptions to the vicinity of the core-ionization thresholds using the theoretical TDDFT and ΔDFT methods.

Funder

Seventh Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP00490C

Reference51 articles.

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3. Study of substituent effects for aliphatic CH3–X compounds by resonant Auger spectroscopy