Comment on “A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF 4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674-680]

摘要

AbstractThe title paper contains two types of calculations that are in disagreement with some basic concepts of chemistry. The first one is calculating a macroscopic amount of energy difference between one pair of enantiomers that is not correct. The second one is that the different bond orders for R and S stereoisomers and for different pathways of hyperconjugation/electron delocalization have been reported that both are impossible. In addition, the term electron transfer has been wrongly used for donor-acceptor orbital interactions inside one molecule where nothing is oxidized or reduced. Furthermore, the paper has missed some necessary comparisons with a previously published work of authors. There are also some technical problems in the title paper that are discussed in the present comment article.Graphical abstractDisplay OmittedHighlights?Stability and reactivity of R and S stereoisomers are disc