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Issue 34, 2011
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Pressure-induced pseudorotation in crystalline pyrrolidine

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Abstract

Pressure of 1.14(3) GPa leads to the crystallization of a new β phase of pyrrolidine, where every second molecule pseudorotates to the CH2-off envelope conformation, energetically less favored than the NH-off envelope. The β phase is triclinic, space groupP[1 with combining macron], but it is isostructural with monoclinic phase α, where all molecules are in the N-off envelope conformation. The energy associated with the pseudorotation constitutes only about 5% of the total energy change. The energetically unfavorable axial N–H position is retained.

Graphical abstract: Pressure-induced pseudorotation in crystalline pyrrolidine

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Publication details

The article was received on 07 Apr 2011, accepted on 06 Jul 2011 and first published on 27 Jul 2011


Article type: Communication
DOI: 10.1039/C1CP21087D
Citation: Phys. Chem. Chem. Phys., 2011,13, 15428-15431
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    Pressure-induced pseudorotation in crystalline pyrrolidine

    K. F. Dziubek and A. Katrusiak, Phys. Chem. Chem. Phys., 2011, 13, 15428
    DOI: 10.1039/C1CP21087D

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