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A theoretical and spectroscopic (NMR and IR) study of indirubin in solution and in the solid state
- Publication Year :
- 2020
-
Abstract
- The infrared spectrum of indirubin in the solid state and the H, C and N NMR spectra in DMSO-d solution as well as the C and N CPMAS spectra have been recorded. Different types of calculations (B3LYP, GIAO, and GIPAW) have been carried out. Experimental and calculated values were compared yielding commensurate results. E/Z isomerism was explored, as was oxo/hydroxy tautomerism.
Details
- Database :
- OAIster
- Publication Type :
- Electronic Resource
- Accession number :
- edsoai.on1286545519
- Document Type :
- Electronic Resource