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Model molecules to classify CH⋯O hydrogen-bonds

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Abstract

We developed a set of conformationally locked molecules each of which makes a single CH⋯O H-bond/short contact and has different electron density at the acceptor oxygen atom. The downfield shift of the 1H NMR signals due to the hydrogen involved in the CH⋯O H-bond varied from 0.93–1.6 ppm, and the magnitude of Δδ is in correlation with the hybridization state of the acceptor oxygen and with the CH⋯O H-bond strengths quantified using a computational method.

Graphical abstract: Model molecules to classify CH⋯O hydrogen-bonds

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Publication details

The article was received on 28 Feb 2018, accepted on 11 Apr 2018 and first published on 11 Apr 2018


Article type: Communication
DOI: 10.1039/C8CC01653D
Citation: Chem. Commun., 2018, Advance Article
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    Model molecules to classify CH⋯O hydrogen-bonds

    A. M. Vibhute, U. Deva Priyakumar, A. Ravi and K. M. Sureshan, Chem. Commun., 2018, Advance Article , DOI: 10.1039/C8CC01653D

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