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WEAK INTERACTIONS IN DIMETHYLANILINE AND ITS DERIVATIVES

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Abstract

The work juxtaposes electron density distributions in N,N-dimethylaniline, its three parasubstituted derivatives, two orthosubstituted derivatives of benzoic acid, 2-[4-[(dimethylamino)-phenyl]diazenil]benzoic acid (methyl red), and benzene. Intramolecular weak interactions C⋯H, H⋯H, and O⋯N and the rings they form are considered within the “quantum theory of atoms in molecules” (QTAIM). The characteristics of QTAIM bonds at critical points are found. The stability of rings is estimated; relative stability of C⋯H and O⋯N bonds stabilizing spatial molecular configuration in methyl red is demonstrated.

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Funding

The work was performed within the State Contract No. 4.6469.2017/8.9.

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  1. Tver State University, Tver, Russia

    N. P. Rusakova, V. V. Turovtsev & Yu. D. Orlov

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  1. N. P. Rusakova
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  2. V. V. Turovtsev
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Correspondence to N. P. Rusakova.

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Rusakova, N.P., Turovtsev, V.V. & Orlov, Y.D. WEAK INTERACTIONS IN DIMETHYLANILINE AND ITS DERIVATIVES. J Struct Chem 61, 1845–1851 (2020). https://doi.org/10.1134/S0022476620120021

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