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meso -Tetrahydropyranylperoxides: Molecular Structures in Solution, in the Crystal, and by DFT Calculations and Their Isomerization to the Racemate

✍ Scribed by Balaban, Teodor Silviu; Eichhöfer, Andreas; Ghiviriga, Ion; Hugo, Holger; Wenzel, Wolfgang


Book ID
126135535
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
202 KB
Volume
68
Category
Article
ISSN
0022-3263

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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