Characterization of guest molecules sorbed in zeolites of known structure--Part V: Localization of para-dichlorobenzene in MFI materials at medium and higher loadings

Journal Article · Sun Oct 31 23:00:00 EST 1993 · Materials Research Bulletin; (United States)

DOI:https://doi.org/10.1016/0025-5408(93)90096-V· OSTI ID:5847826

Mentzen, B F; Sacerdote-Peronnet, M ^[1]

---

1. Univ. Claude-Bernard, Villeurbanne Cedex (France). Lab de Physicochimie Minerale

Para-dichlorobenzene (PDCB) has been sorbed in MFI type zeolitic materials presenting the Si[sub 96]O[sub 192] (silicalite) and H[sub 0.72]Al[sub 0.72]Si[sub 95.28]O[sub 192] (ZSM-5) framework compositions. Difference-Fourier maps clearly reveal the locations and orientations of the organic guest molecules. At room temperature and lower or medium pore-filling (two to four sorbate molecules/unit-cell) the sorbate is localized at the channel-intersection (site I, x/y/z [approximately] 0/.25/.5). At saturation (eight molecules/unit-cell) two distinct PDCB species are detected: the first one resides at the channel-intersection (site 1), and the second one in the zig-zag channel (site 2, x/y/z [approximately] .2/.25/.85 or [approximately].2/.25/.60, depending on the choice of the P2[sub 1]2[sub 1]2[sub 1] space group origin). The atomic positions of the topology and of the guest molecules have been refined by using linear constraints. The distributions of the sorbate species in the investigated MFI/PDCB complexes are comparable to those observed in the case of MFI/p-xylene systems.

• OSTI ID: 5847826
• Journal Information: Materials Research Bulletin; (United States), Journal Name: Materials Research Bulletin; (United States) Vol. 28:11; ISSN MRBUAC; ISSN 0025-5408
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
AROMATICS
CHEMICAL COMPOSITION
CHLORINATED AROMATIC HYDROCARBONS
CRYSTAL STRUCTURE
HALOGENATED AROMATIC HYDROCARBONS
INORGANIC ION EXCHANGERS
ION EXCHANGE MATERIALS
MATERIALS
MINERALS
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
SATURATION
SILICATE MINERALS
SORPTION
SORPTIVE PROPERTIES
SURFACE PROPERTIES
ZEOLITES