13C Chemical Shift Assignment of Solid 2-Picolinic Acid by DFT/Crystallography Integrated Approach

The tautomerism of organic molecules is widely observed in solution. While for solid organic chemicals, molecules often exist in the most stable tautomeric form. 2-Picolinic acid (PCA) is a very rare case which contains both the neutral molecules and zwitterions in the same crystal structure. Chemic...

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Bibliographic Details
Main Authors: ZHANG Zhi-jie, LI Duan-xiu, LUO Chun, QIU Ru-chen, DENG Zong-wu, ZHANG Hai-lu
Format: Article
Language:zho
Published: Science Press 2020-03-01
Series:Chinese Journal of Magnetic Resonance
Subjects:
Online Access:http://121.43.60.238/bpxzz/EN/10.11938/cjmr20192726