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Host?guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations

✍ Scribed by Lemonnier, Jean-Fran?ois; Floquet, S?bastien; Kachmar, Ali; Rohmer, Marie-Madeleine; B?nard, Marc; Marrot, Jer?me; Terazzi, Emmanuel; Piguet, Claude; Cadot, Emmanuel


Book ID
120939200
Publisher
Royal Society of Chemistry
Year
2007
Tongue
English
Weight
424 KB
Volume
28
Category
Article
ISSN
1477-9226

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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