Conformational phase transition of deuterated p-bromobenzyl alcohol as studied by neutron powder diffraction
Keyword(s):
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).
2014 ◽
Vol 70
(a1)
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pp. C1367-C1367
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1993 ◽
Vol 97
(10)
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pp. 1376-1380
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Keyword(s):
1990 ◽
Vol 167
(3-4)
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pp. 388-394
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1989 ◽
Vol 71
(1)
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pp. 45-48
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