TY - JOUR
T1 - NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State
AU - Stevens, Joanna
AU - Gainar, Adrian
AU - Suljoti, Edlira
AU - Xiao, Jie
AU - Golnak, Ronny
AU - Aziz, Emad Flear
AU - Schroeder, Sven L. M.
PY - 2016
Y1 - 2016
N2 - 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.
AB - 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.
U2 - 10.1088/1742-6596/712/1/012136
DO - 10.1088/1742-6596/712/1/012136
M3 - Article
SN - 1742-6596
VL - 712
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
IS - 1
M1 - 012136
ER -