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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: mizuno@wriron1.s.kanazawa-u.ac.jp
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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).

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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

Aonuma, S., Sawa, H., and Kato, R., (1995). “Chemical pressure effect by selective deuteration in the molecular-based conductor, 2,5-dimethyl-N,N′-dicyano-p-benzoquinone immine-copper salt, (DMe-DCNQI)2Cu,” J. Chem. Soc., Perkin Trans. 2 JCPKBH 2, 1541–1549. pkb, JCPKBH CrossRefGoogle Scholar
Hashimoto, M.and Harada, M., (2003). “Conformational phase transitions associated with reversal of hydrogen bond direction in 4-chloro- and 4-bromobenzyl alcohols. An X-ray study,” Z. Naturforsch., A: Phys. Sci. ZNASEI 58, 63–67. zna, ZNASEI CrossRefGoogle Scholar
Hashimoto, M., Harada, M., Mizuno, M., Hamada, M., Ida, T., and Suhara, M., (2002). “Phase transitions, hydrogen bond and crystal dynamics of p-methylbenzyl alcohol as studied by single crystal X-ray diffraction and 2H NMR,” Z. Naturforsch., A: Phys. Sci. ZNASEI 57, 388–394. zna, ZNASEI CrossRefGoogle Scholar
Hashimoto, M., Monobe, Y., Terao, H., Niki, H., and Mano, M., (1998). “Phase transition and crystal dynamics of 4-bromobenzyl alcohol,” Z. Naturforsch., A: Phys. Sci. ZNASEI 53, 436–441. zna, ZNASEI CrossRefGoogle Scholar
Ohta, T., Izumi, F., Oikawa, K., and Kamiyama, T., (1997). “Rietveld analysis of intensity data taken on the TOF neutron diffractometer VEGA,” Physica B PHYBE3 234–236, 1093–1095. phb, PHYBE3 CrossRefGoogle Scholar