Abstract

Solid-state and solution pH-dependent NEXAFS studies allow direct observation of the electronic state of para-aminobenzoic acid (PABA) as a function of its chemical environment, revealing the chemical state and bonding of the chemical species. Variations in the ionization potential (IP) and 1s→π* resonances unequivocally identify the chemical species (neutral, cationic, or anionic) present and the varying local environment. Shifts in σ* shape resonances relative to the IP in the NEXAFS spectra vary with C-N bond length, and the important effect of minor alterations in bond length is confirmed with nitrogen FEFF calculations, leading to the possibility of bond length determination in solution.

Details

Title
NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State
Author
Stevens, J S 1 ; Gainar, A 1 ; Suljoti, E 2 ; Xiao, J 2 ; Golnak, R 2 ; Aziz, E F 3 ; Schroeder, S L M 4 

 School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK 
 Joint Ultrafast Dynamics Lab in Solutions and at Interfaces (JULiq), Helmholtz- Zentrum Berlin für Materialien und Energie, Albert Einstein Strasse 15, 12489 Berlin, Germany 
 Joint Ultrafast Dynamics Lab in Solutions and at Interfaces (JULiq), Helmholtz- Zentrum Berlin für Materialien und Energie, Albert Einstein Strasse 15, 12489 Berlin, Germany; Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany 
 School of Chemical and Process Engineering, University of Leeds, Leeds, LS2 9JT, UK; DIAMOND Light Source Ltd., Chilton, Didcot, OX11 0QX, UK 
Publication year
2016
Publication date
May 2016
Publisher
IOP Publishing
ISSN
17426588
e-ISSN
17426596
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2575112516
Copyright
© 2016. This work is published under http://creativecommons.org/licenses/by/3.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.