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Conformational phase transition of deuterated p-bromobenzyl alcohol as studied by neutron powder diffraction

Published online by Cambridge University Press:  06 March 2012

M. Mizuno ,
M. Hamada ,
M. Hashimoto ,
M. Harada ,
K. Eda ,
K. Yamamura ,
T. Kamiyama  and
K. Oikawa
M. Mizuno*
Affiliation:
Department of Chemistry, Faculty of Science, Kanazawa University, Kanazawa 920-1192, Japan
M. Hamada
Affiliation:
Department of Chemistry, Faculty of Science, Kanazawa University, Kanazawa 920-1192, Japan
M. Hashimoto
Affiliation:
Department of Chemistry, Faculty of Science, Kobe University, Nada-ku, Kobe 657-8501, Japan
M. Harada
Affiliation:
Department of Chemistry, Faculty of Science, Kobe University, Nada-ku, Kobe 657-8501, Japan
K. Eda
Affiliation:
Department of Chemistry, Faculty of Science, Kobe University, Nada-ku, Kobe 657-8501, Japan
K. Yamamura
Affiliation:
Department of Chemistry, Faculty of Science, Kobe University, Nada-ku, Kobe 657-8501, Japan
T. Kamiyama
Affiliation:
KEK, 1-1 Oho, Tsukuba, Ibaraki 305-0801, Japan
K. Oikawa
Affiliation:
KEK, 1-1 Oho, Tsukuba, Ibaraki 305-0801, Japan
*
a)Author to whom correspondence should be addressed; Electronic mail: [email protected]
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Abstract

A neutron powder diffraction study on the crystal structure of the title compound (p-Br–C6D4–CD2–OD) confirmed that a first-order phase transition at Tt1=229 K accompanied a drastic change in the molecular conformation caused by a discontinuous rotational shift of the hydroxyl hydrogen atom around the C(D2)–O(D) bond. At T<Tt1, a contraction of the unit cell volume of ∼1% was found when compared to that of the normal compound (p-Br–C6H4–CH2–OH).

Type
Technical Articles
Information
Powder Diffraction , Volume 19 , Issue 2 , June 2004 , pp. 149 - 152
Copyright
Copyright © Cambridge University Press 2004

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References

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