| Title: |
NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State |
| Authors: |
Stevens, JS; Gainar, A; Suljoti, E; Xiao, J; Golnak, R; Aziz, EF; Schroeder, SLM |
| Source: |
16th International Conference on X-ray Absorption Fine Structure (XAFS16) |
| Publisher Information: |
Conference Series |
| Publication Year: |
2015 |
| Collection: |
Imperial College London: Spiral |
| Subject Terms: |
02 Physical Sciences; 09 Engineering |
| Subject Geographic: |
Karlsruhe; Germany |
| Description: |
Nitrogen K-edge XPS and NEXAFS of the two polymorphic forms of para- aminobenzoic acid (PABA) are significantly different reflecting variation in hydrogen bonding. Alteration in hydrogen bonding at the amino group leads to a shift to high energy for both the XPS N 1s core level and the 3 p * NEXAFS resonance with b -PABA. Participation of the amine group in the aromatic system causes the 1 p * resonance to be sensitive to the nature of the intermolecular bonding at the para -carboxylic acid group, and a shift to low energy for a - PABA is observed due to hydrogen-bonded carboxylic acid dimer formation. FEFF calculations also successfully reproduce both the energy and intensity variations observed for the s * shape resonance associated with the C - N bond, with the majority of the decrease in energy observed for b -PABA arising from the longer C - N bond. |
| Document Type: |
conference object |
| Language: |
unknown |
| Relation: |
Journal of Physics: Conference Series; http://hdl.handle.net/10044/1/42526 |
| DOI: |
10.1088/1742-6596/712/1/012136 |
| Availability: |
http://hdl.handle.net/10044/1/42526; https://doi.org/10.1088/1742-6596/712/1/012136 |
| Rights: |
© 2016 The Authors. Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. Published under licence by IOP Publishing Ltd |
| Accession Number: |
edsbas.9B872D61 |
| Database: |
BASE |