Synchrotron powder diffraction characterization of the zeolite-based (p-N,N-dimethylnitroaniline-mordenite) guest-host phase

Florence Porcher, Elena Borissenko, Mohamed Souhassou, Masaki Takata, Kenichi Kato, Juan Rodriguez-Carvajal, Claude Lecomte

研究成果: Article

5 引用 (Scopus)

抜粋

The crystal structure of a new phase consisting of the inclusion of the hyperpolarizable molecule p-N,N-dimethylnitroaniline (dimethyl-para-nitroaniline or dmpNA) in the large-pore zeolite mordenite (MOR) has been determined from high-resolution synchrotron powder diffraction at 300 and 90 K. The unit-cell parameters and space group at 300 K are similar to those of as-synthesized mordenite. The crystallographic study indicates that the MOR straight channels are almost fully loaded with molecules that are disordered over eight symmetry-related sites. As expected, the molecules are located in the large 12-membered ring channel, at the intersection with the secondary eight-membered channel with which they might form hydrogen bonds. The elongation axes (and then the dipole moments) of the molecules are slightly tilted (28.57°) from [001]. The configuration found suggests an interaction of dmpNA with framework O atoms through its methyl groups.

元の言語English
ページ(範囲)713-724
ページ数12
ジャーナルActa Crystallographica Section B: Structural Science
64
発行部数6
DOI
出版物ステータスPublished - 2008
外部発表Yes

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

フィンガープリント Synchrotron powder diffraction characterization of the zeolite-based (p-N,N-dimethylnitroaniline-mordenite) guest-host phase' の研究トピックを掘り下げます。これらはともに一意のフィンガープリントを構成します。

  • これを引用