| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374166 | Chemical Physics | 2013 | 9 Pages |
Abstract
⺠The tautomeric equlibrium and behavior of creatinine in aqueous solutions have been firstly studied by means of Raman spectroscopy and theoretical calculations (DFT). ⺠As 7 water molecules are gradually aggregated around the creatinine, theoretical results show an excellent accordance with the experimental spectrum. ⺠Analysis of molecular electrostatic potential (MEP) for creatinine (two tautomers and one protonated form) could explain why typical experimental Raman spectra with different pH values have obvious discrepancies at the electrical level.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Jiao Gao, Yongjun Hu, Shaoxin Li, Yanjiao Zhang, Xue Chen,