2021, №2

сс. 63-72

Determination of Spatial Structure and Preferred Conformations of Lidocaine in SC-CO2 by 2D NOESY

2021, №2

сс. 63-72

Цитировать

K.V. Belov, A.A. Dyshin, M.G. Kiselev, M.A. Krestyaninov, V.V. Sobornova, I.A. Khodov

Key words: high-pressure NMR, lidocaine, 2D NOESY, small molecules, DFT, spatial structure

The main goal of our research was to obtain information on the spatial structure of
lidocaine in SC-CO2. The preferred conformations of this compound in SC-CO2 (at
70 °C, 20.0 MPa) were determined by two dimensional technique nuclear Overhauser
effect spectroscopy (2D NOESY) and quantum chemistry calculation (DFT). This data
can be used to calculation of parameters of state for micronization processing by RESS.

doi:10.1134/S1990793121080145