16th International Conference on X-ray Absorption Fine Structure | |
NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State | |
Stevens, J.S.^1 ; Gainar, A.^1 ; Suljoti, E.^2 ; Xiao, J.^2 ; Golnak, R.^2 ; Aziz, E.F.^2,3 ; Schroeder, S.L.M.^4,5 | |
School of Chemical Engineering and Analytical Science, University of Manchester, Oxford Road, Manchester | |
M13 9PL, United Kingdom^1 | |
Joint Ultrafast Dynamics Lab in Solutions and at Interfaces (JULiq), Helmholtz- Zentrum Berlin für Materialien und Energie, Albert Einstein Strasse 15, Berlin | |
12489, Germany^2 | |
Freie Universität Berlin, Arnimallee 14, Berlin | |
14195, Germany^3 | |
School of Chemical and Process Engineering, University of Leeds, Leeds | |
LS2 9JT, United Kingdom^4 | |
DIAMOND Light Source Ltd., Chilton, Didcot | |
OX11 0QX, United Kingdom^5 | |
关键词: Aminobenzoic acid; Chemical environment; Chemical species; Direct observations; Length determination; Local environments; P-aminobenzoic acid; Shape resonance; | |
Others : https://iopscience.iop.org/article/10.1088/1742-6596/712/1/012136/pdf DOI : 10.1088/1742-6596/712/1/012136 |
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来源: IOP | |
【 摘 要 】
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.
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