Piperidine nitroxide radicals with heterocyclic ring substituents. I. Structure of 4-hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl)piperidine 1-oxide
✍ Scribed by Olszak, T. A. ;Grabowski, M. J. ;Gwoździński, K.
- Book ID
- 114510402
- Publisher
- International Union of Crystallography
- Year
- 1993
- Tongue
- English
- Weight
- 166 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0108-2701
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An explicit DFT modeling of water surroundings on the electron paramagnetic resonance properties of 4-amino-2,2,6,6-tetramethyl-piperidine-N-oxyl (TA) has been performed. A stepwise hydration of TA is accompanied with certain changes in geometrical parameters (bond lengths and angles) and redistribu