Magnetic resonance in chemistry : MRC
Ambiguities in Assigning Single-Crystal NMR Data to Individual Atoms in the Crystal Structure: A Case Study of Hambergite, Be 2 $$ {}_2 $$ BO 3 $$ {}_3 $$ OH, by 9 $$ {}^9 $$ Be and 11 $$ {}^{11} $$ B NMR Spectroscopy, XRD Measurements and DFT Calculations.
Jennifer Steinadler, Georg Krach, Kristian Witthaut, Tobias Stürzer, Rupert Hochleitner, Wolfgang Schnick, Thomas Bräuniger
Published: 202610.1002/mrc.70073
Abstract
The NMR interaction tensors of 9 $$ {}^9 $$ Be and 11 $$ {}^{11} $$ B of hambergite, Be 2 $$ {}_2 $$ BO 3 $$ {}_3 $$ OH, were derived from single-crystal NMR experiments. In the orthorhombic crystal structure of hambergite (wh…
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