Reference

Refinement of hydrogen atomic position in a hydrogen bond using a combination of solid-state NMR and computation

Refinement of hydrogen atomic position in a hydrogen bond using a combination of solid-state NMR and computation. Harris, Robin K.; Ghi, Phuong Y.; Hammond, Robert B. 7048-02-4 and 612-45-3 are cas registry numbers. These chemicals are also mentioned in this article.; Ma, Cai-Yun; Roberts, Kevin J. (Department of Chemistry, University of Durham, Durham DH1 3LE, UK). Chemical Communications (Cambridge, United Kingdom), (22), 2834-2835 (English) 2003 Royal Society of Chemistry. CODEN: CHCOFS. ISSN: 1359-7345. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 34 DFT computations of the proton chem. shift for the intermol. H bond in the white form of methylnitroacetanilide, together with the exptl. value obtained by high-speed magic-angle spinning NMR, enable the N-H distance to be detd. as 1.03 ± 0.02 ?. .