Molecular structure of (cyanomethoxy)(dimethylamino)methane as studied by gas-phase electron diffraction and quantum-chemical calculations

The molecular structure of (cyanomethoxy)(dimethylamino)methane in the gas phase is investigated by means of gas-phase electron diffraction and quantum-chemical studies for the first time. It is shown that in the gaseous state, (cyanomethoxy)(dimethylamino)methane is a mixture of gauche-anti (65%) a...

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Veröffentlicht in:Russian Journal of Physical Chemistry A 2014-04, Vol.88 (4), p.667-670
Hauptverfasser: Al’tova, E. P., Kostyanovskii, R. G., Shishkov, I. F.
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container_title Russian Journal of Physical Chemistry A
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creator Al’tova, E. P.
Kostyanovskii, R. G.
Shishkov, I. F.
description The molecular structure of (cyanomethoxy)(dimethylamino)methane in the gas phase is investigated by means of gas-phase electron diffraction and quantum-chemical studies for the first time. It is shown that in the gaseous state, (cyanomethoxy)(dimethylamino)methane is a mixture of gauche-anti (65%) and anti-gauche (35%) conformers. The slight influence of the anomeric effect on the compound’s structural parameters was noted.
doi_str_mv 10.1134/S0036024414040025
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subjects Chemistry
Chemistry and Materials Science
Physical Chemistry
Structure of Matter and Quantum Chemistry
title Molecular structure of (cyanomethoxy)(dimethylamino)methane as studied by gas-phase electron diffraction and quantum-chemical calculations
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