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Molecules 2014, 19(7), 10137-10149; doi:10.3390/molecules190710137
Article

First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach

1,2,* , 3,*  and 1
Received: 28 May 2014; in revised form: 1 July 2014 / Accepted: 8 July 2014 / Published: 11 July 2014
(This article belongs to the Section Organic Synthesis)
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Abstract: Crystals of 1,6-hexanedioic acid (I) undergo a temperature-dependent reversible phase transition from monoclinic P21/c at a temperature higher than the critical temperature (Tc) 130 K to another monoclinic P21/c at temperature lower than Tc. The phase transition is of first order, involving a discontinuity and a tripling of the b-axis at Tc whereas the other unit cell parameters vary continuously. The transition is described by the phenomenological Landau theory. The crystal structure analyses for data collected at 297(2) K and 120.0(1) K show that there is half of a molecule of (I) in the asymmetric unit at 297(2) K whereas there are one and a half molecules of (I) in the asymmetric unit at 120.0(1) K. At both temperatures, 297(2) and 120.0(1) K, intermolecular O-H···O hydrogen bonds link the molecules of I into infinite 1D chains along [101] direction. However there are significantly more O-H···O hydrogen bonds presented in the 120.0(1) K polymorph, thereby indicating this phase transition is negotiated via hydrogen bonds. The relationship of the conformational changes and hydrogen bonding for these two polymorphs are explained in detail.
Keywords: adipic acid; crystal structure; Landau theory; phase-transition adipic acid; crystal structure; Landau theory; phase-transition
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Fun, H.-K.; Chantrapromma, S.; Ong, L.-H. First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach. Molecules 2014, 19, 10137-10149.

AMA Style

Fun H-K, Chantrapromma S, Ong L-H. First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach. Molecules. 2014; 19(7):10137-10149.

Chicago/Turabian Style

Fun, Hoong-Kun; Chantrapromma, Suchada; Ong, Lye-Hock. 2014. "First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach." Molecules 19, no. 7: 10137-10149.


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