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EPR, the X-ray Structure and DFT Calculations of the Nitroxide Biradical with One Acetylene Group in the Bridge

✍ Scribed by Gromov, O. I.; Golubeva, E. N.; Khrustalev, V. N.; Kálai, T.; Hideg, K.; Kokorin, A. I.


Book ID
126962142
Publisher
Springer Vienna
Year
2014
Tongue
English
Weight
710 KB
Volume
45
Category
Article
ISSN
0937-9347

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## Abstract 1‐Hydroxymethylindazole and 1‐hydroxymethylbenzotriazole have been studied in solution by ^1^H, ^13^C and ^15^N NMR spectroscopy and the X‐ray structure of the second compound determined. DFT and GIAO calculations have been used to discuss geometries, energies (comparatively with 2‐subs