Ferrocene-zeolite interactions measured by inelastic neutron scattering

E. Kemner; A. R. Overweg; U. A. Jayasooriya; S. F. Parker; I. M. de Schepper; G. J. Kearley

doi:10.1007/s003390101237

Ferrocene-zeolite interactions measured by inelastic neutron scattering

E. Kemner, A. R. Overweg, U. A. Jayasooriya, S. F. Parker, I. M. de Schepper, G. J. Kearley

School of Chemistry

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

4 Citations (Scopus)

Abstract

The measured inelastic neutron scattering vibrational spectrum of ferrocene, Fe(C5H5)(2), in the supercages of KY zeolite is compared with that of solid ferrocene. Only small differences between these spectra are observed. It is shown that these differences are compatible with those calculated by ab initio calculations taking account only of the geometry of the ferrocene and ignoring the molecular environment. We conclude that the ferrocene-zeolite interactions are rather weak, and comparable with the intermolecular interactions in solid ferrocene.

Original language	English
Pages (from-to)	S1368-S1370
Journal	Applied Physics A: Materials Science & Processing
Volume	74
Issue number	Supplement 1
DOIs	https://doi.org/10.1007/s003390101237
Publication status	Published - 2002

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10.1007/s003390101237

Cite this

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title = "Ferrocene-zeolite interactions measured by inelastic neutron scattering",

abstract = "The measured inelastic neutron scattering vibrational spectrum of ferrocene, Fe(C5H5)(2), in the supercages of KY zeolite is compared with that of solid ferrocene. Only small differences between these spectra are observed. It is shown that these differences are compatible with those calculated by ab initio calculations taking account only of the geometry of the ferrocene and ignoring the molecular environment. We conclude that the ferrocene-zeolite interactions are rather weak, and comparable with the intermolecular interactions in solid ferrocene.",

author = "E. Kemner and Overweg, {A. R.} and Jayasooriya, {U. A.} and Parker, {S. F.} and {de Schepper}, {I. M.} and Kearley, {G. J.}",

year = "2002",

doi = "10.1007/s003390101237",

language = "English",

volume = "74",

pages = "S1368--S1370",

journal = "Applied Physics A: Materials Science & Processing",

number = "Supplement 1",

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TY - JOUR

T1 - Ferrocene-zeolite interactions measured by inelastic neutron scattering

AU - Kemner, E.

AU - Overweg, A. R.

AU - Jayasooriya, U. A.

AU - Parker, S. F.

AU - de Schepper, I. M.

AU - Kearley, G. J.

PY - 2002

Y1 - 2002

N2 - The measured inelastic neutron scattering vibrational spectrum of ferrocene, Fe(C5H5)(2), in the supercages of KY zeolite is compared with that of solid ferrocene. Only small differences between these spectra are observed. It is shown that these differences are compatible with those calculated by ab initio calculations taking account only of the geometry of the ferrocene and ignoring the molecular environment. We conclude that the ferrocene-zeolite interactions are rather weak, and comparable with the intermolecular interactions in solid ferrocene.

AB - The measured inelastic neutron scattering vibrational spectrum of ferrocene, Fe(C5H5)(2), in the supercages of KY zeolite is compared with that of solid ferrocene. Only small differences between these spectra are observed. It is shown that these differences are compatible with those calculated by ab initio calculations taking account only of the geometry of the ferrocene and ignoring the molecular environment. We conclude that the ferrocene-zeolite interactions are rather weak, and comparable with the intermolecular interactions in solid ferrocene.

U2 - 10.1007/s003390101237

DO - 10.1007/s003390101237

M3 - Article

VL - 74

SP - S1368-S1370

JO - Applied Physics A: Materials Science & Processing

JF - Applied Physics A: Materials Science & Processing

IS - Supplement 1

ER -