Structure of a zeolite ZSM-5-bithiophene complex as determined by high-resolution synchrotron X-ray powder diffraction

C. Eylem; J. A. Hriljac; V. Ramamurthy; D. R. Corbin; J. B. Parise

Structure of a zeolite ZSM-5-bithiophene complex as determined by high-resolution synchrotron X-ray powder diffraction

C. Eylem^*, J. A. Hriljac, V. Ramamurthy, D. R. Corbin, J. B. Parise

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

The structure of a zeolite ZSM-5 complex with ca. 4 molecules/unit cell of bithiophene was determined by high-resolution synchrotron X-ray powder diffraction. It adopts monoclinic symmetry in space group P2₁/n (a unique) between room temperature and 25 K, with refined lattice parameters at 25 K of a = 20.0614(4), b = 19.8251(4), c = 13.3623(4) Å, and α = 90.848(2)°. Structural modeling and Rietveld refinements showed that there are two crystallographically unique bithiophene molecules, each with an occupancy factor of ca. 0.5. One bithiophene is localized at the center of the straight channels with one of the rings residing at the intersection with the sinusoidal channels. The other molecule lies in the sinusoidal channels and projects partially into the straight channels. The relationship between polythiophene chain length and the formation of conducting polythiophene molecular wires in the ZSM-5 framework is discussed.

Original language	English
Pages (from-to)	844-849
Number of pages	6
Journal	Chemistry of Materials
Volume	8
Issue number	4
Publication status	Published - Apr 1996
Externally published	Yes

ASJC Scopus subject areas

General Materials Science
Materials Chemistry

Cite this

@article{7577e08d233a4317a91605cf3d21815e,

title = "Structure of a zeolite ZSM-5-bithiophene complex as determined by high-resolution synchrotron X-ray powder diffraction",

abstract = "The structure of a zeolite ZSM-5 complex with ca. 4 molecules/unit cell of bithiophene was determined by high-resolution synchrotron X-ray powder diffraction. It adopts monoclinic symmetry in space group P21/n (a unique) between room temperature and 25 K, with refined lattice parameters at 25 K of a = 20.0614(4), b = 19.8251(4), c = 13.3623(4) {\AA}, and α = 90.848(2)°. Structural modeling and Rietveld refinements showed that there are two crystallographically unique bithiophene molecules, each with an occupancy factor of ca. 0.5. One bithiophene is localized at the center of the straight channels with one of the rings residing at the intersection with the sinusoidal channels. The other molecule lies in the sinusoidal channels and projects partially into the straight channels. The relationship between polythiophene chain length and the formation of conducting polythiophene molecular wires in the ZSM-5 framework is discussed.",

author = "C. Eylem and Hriljac, {J. A.} and V. Ramamurthy and Corbin, {D. R.} and Parise, {J. B.}",

year = "1996",

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language = "English",

volume = "8",

pages = "844--849",

journal = "Chemistry of Materials",

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TY - JOUR

T1 - Structure of a zeolite ZSM-5-bithiophene complex as determined by high-resolution synchrotron X-ray powder diffraction

AU - Eylem, C.

AU - Hriljac, J. A.

AU - Ramamurthy, V.

AU - Corbin, D. R.

AU - Parise, J. B.

PY - 1996/4

Y1 - 1996/4

N2 - The structure of a zeolite ZSM-5 complex with ca. 4 molecules/unit cell of bithiophene was determined by high-resolution synchrotron X-ray powder diffraction. It adopts monoclinic symmetry in space group P21/n (a unique) between room temperature and 25 K, with refined lattice parameters at 25 K of a = 20.0614(4), b = 19.8251(4), c = 13.3623(4) Å, and α = 90.848(2)°. Structural modeling and Rietveld refinements showed that there are two crystallographically unique bithiophene molecules, each with an occupancy factor of ca. 0.5. One bithiophene is localized at the center of the straight channels with one of the rings residing at the intersection with the sinusoidal channels. The other molecule lies in the sinusoidal channels and projects partially into the straight channels. The relationship between polythiophene chain length and the formation of conducting polythiophene molecular wires in the ZSM-5 framework is discussed.

AB - The structure of a zeolite ZSM-5 complex with ca. 4 molecules/unit cell of bithiophene was determined by high-resolution synchrotron X-ray powder diffraction. It adopts monoclinic symmetry in space group P21/n (a unique) between room temperature and 25 K, with refined lattice parameters at 25 K of a = 20.0614(4), b = 19.8251(4), c = 13.3623(4) Å, and α = 90.848(2)°. Structural modeling and Rietveld refinements showed that there are two crystallographically unique bithiophene molecules, each with an occupancy factor of ca. 0.5. One bithiophene is localized at the center of the straight channels with one of the rings residing at the intersection with the sinusoidal channels. The other molecule lies in the sinusoidal channels and projects partially into the straight channels. The relationship between polythiophene chain length and the formation of conducting polythiophene molecular wires in the ZSM-5 framework is discussed.

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M3 - Article

AN - SCOPUS:0242650411

SN - 0897-4756

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JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 4

ER -

Structure of a zeolite ZSM-5-bithiophene complex as determined by high-resolution synchrotron X-ray powder diffraction

Abstract

ASJC Scopus subject areas

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