Issue 13, 2019

Tetrel bonds and conformational equilibria in the formamide–CO2 complex: a rotational study

Abstract

The rotational spectra of the complex formamide–CO2 have been measured and assigned by pulsed jet Fourier transform microwave spectroscopy. Two isomers of the complex have been detected where a C⋯O tetrel bond dominates the interactions, and either N–H⋯O or C–H⋯O forms a secondary linkage. Bader's quantum theory of atoms in molecules and Johnson's non-covalent interaction analyses were applied to unveil the intermolecular binding sites and energetic properties in the complex. Relative intensity measurements on a set of μa-type transitions allowed estimating the relative population of the observed two isomers as NI/NII ≈ 18/1.

Graphical abstract: Tetrel bonds and conformational equilibria in the formamide–CO2 complex: a rotational study

Supplementary files

Article information

Article type
Paper
Submitted
04 Jan 2019
Accepted
27 Feb 2019
First published
27 Feb 2019

Phys. Chem. Chem. Phys., 2019,21, 7016-7020

Tetrel bonds and conformational equilibria in the formamide–CO2 complex: a rotational study

S. Gao, D. A. Obenchain, J. Lei, G. Feng, S. Herbers, Q. Gou and J. Grabow, Phys. Chem. Chem. Phys., 2019, 21, 7016 DOI: 10.1039/C9CP00055K

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