Cooperative hydrogen bonds form a pseudocycle stabilizing an isolated complex of isocyanic acid with urea

作者: John C Mullaney , Chris Medcraft , David P Tew , Luke Lewis-Borrell , Bernard T Golding

DOI: 10.1039/C7CP04315E

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摘要: The shapes of macromolecules and their complexes with small molecules are often determined by extended networks hydrogen bonds. Here, for the first time, we provide a detailed description cooperative pair bonds to an individual molecule urea. structure properties gas phase complex formed between urea isocyanic acid characterised through microwave spectroscopy ab initio calculations at CCSD(T)(F12*)/aug-cc-pVTZ level.

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