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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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Chloroform, often in the deuterated form CDCl 3 , is a very common solvent for NMR and other types of spectroscopy. Quantum mechanics is increasingly used to calculate such spectra to aid assignment and the solvent is here normally simulated as a continuum rather than by explicit inclusion of one or more chloroform molecules. But what are the features of the hydrogen bonds that form from chloroform to other acceptors?