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Crystal chemistry of protonated 1,2-bis(di-R-aminomethyl)benzenes. Part VI: 1,2-bis(diethylaminomethyl)-4,5-dichlorobenzene perchlorate

Authors
Journal
Journal of Molecular Structure
0022-2860
Publisher
Elsevier
Publication Date
Volume
643
Identifiers
DOI: 10.1016/s0022-2860(02)00411-8
Keywords
  • Proton Sponge
  • Intramolecular Hydrogen Bond
  • Crystal Structure
  • Ft-Ir Spectroscopy
  • Proton Polarizability

Abstract

Abstract The crystals of a 1:1 complex of 1,2-bis(diethylaminomethyl)-4,5-dichlorobenzene perchlorate with HClO 4 were studied using X-ray diffraction and FT-IR spectroscopy. There are two symmetry-independent ionic pairs in the crystal, monoclinic, space group P2 1/ n. In both symmetry-independent cations, the diethylaminomethyl substituents are in a similar Z conformation relative to the phenyl moieties, however significant conformational differences in the diethylaminomethyls have been noted. The diethylaminomethyls are linked by intracationic +N–H⋯N hydrogen bonds of 2.758(9) and 2.721(7) Å in two symmetry-independent cations. The protons in these H-bonds are disordered in two off-center sites, which is most likely to be connected with the considerable disorder of the perchlorate anions. The IR spectrum of the crystals shows a broad intense band and a relatively intense continuous absorption indicating relatively large proton polarizability in the intramolecular hydrogen bond of a medium length.

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