Modeling of dimers of chiral trifluoroacetylated aminoalcohols

Zlenko, Dmitry V.; Mikhaleva, M. G.; Стовбун, С. В.

doi:10.1134/s1990793116030131

Cited by 4 publications

(1 citation statement)

References 9 publications

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“…12,32 At the same time, a sequential numerical calculation of the kinetics of full atomic fragments of TFAAA solutions by the molecular dynamics (MD) method leads to the cohesion energy values in the range of $0.1-0.2 eV. 33 Further experiments showed that the magnetic field inhibits the formation of strings. 34 This proved the presence of spin polarization in the interaction of chiral TFAAA molecules and explained the strongly underestimated value of the cohesion energy obtained in the computational simulation by the MD method, which does not take into account the rearrangement of electron clouds and the change in the value of the coulomb interaction of electrons due to their spin polarization.…”

Section: Resultsmentioning

confidence: 99%

On the mechanism of effectively chiral‐pure macromolecular spiralization induced by a weakly chiral polarized heterochiral solution of a chiral compound

et al. 2021

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There has been made an assumption, correlating with experimental data, that the phenomenon of effectively chiral-pure, chiral-induced spiralization of macromolecules in weakly polarized heterochiral solutions is determined by the mechanism of physico-chemical annihilation: enantiomers-antipodes of a chiral compound in a heterochiral solution annihilate; that is, they form achiral dimers, the solution becomes effectively homochiral and further, chiral-induced macromolecular spiralization of one sign of helicity is realized in it in the same way as in other homochiral solutions.

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