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Journal of Structural Chemistry

2009 year, number 3

1Н nmr refinement of the structure of the guest sublattice and molecular dynamics in the ultrathin channels of [Zn2(C8H4O4)2(C6H12N2)]·n(H3C)2NCHO


Keywords: organometal sorbent, dimethyl formamide, molecular mobility, 1Н NMR
Pages: 443-450

Abstract

Localization and molecular mobility of the ligands ([C8H4O4]2+ and [C6H12N2]0) of the host lattice and (CH3)2NCHO dimethyl formamide guest molecules in the inclusion compound [Zn2(C8H4O4)2(C6H12N2)]·
n(H3C)2NCHO were studied on the basis of 1H NMR data. At room temperature, the longest axes of the dimethyl formamide guest molecules are ordered in parallel to the С4 symmetry axes, and the symmetry planes of these molecules are disordered, while preserving the tetragonal crystal system of the inclusion compound. At lower temperatures, a phase transition takes place in view of the ordering in the guest sublattice.