First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach
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 discon...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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MDPI
2014
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| Online Access: | http://eprints.usm.my/39132/1/First_Order_Temperature_Dependent_Phase_Transition_in_a_Monoclinic.pdf |
| _version_ | 1797010178345795584 |
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| author | Fun, Hoong Kun Chantrapromma, Suchada Ong, Lye Hock |
| author_facet | Fun, Hoong Kun Chantrapromma, Suchada Ong, Lye Hock |
| author_sort | Fun, Hoong Kun |
| collection | USM |
| description | 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. |
| first_indexed | 2024-03-06T15:16:03Z |
| format | Article |
| id | usm.eprints-39132 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:16:03Z |
| publishDate | 2014 |
| publisher | MDPI |
| record_format | dspace |
| spelling | usm.eprints-391322018-02-22T09:19:12Z http://eprints.usm.my/39132/ First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach Fun, Hoong Kun Chantrapromma, Suchada Ong, Lye Hock QC1-999 Physics 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. MDPI 2014 Article PeerReviewed application/pdf en http://eprints.usm.my/39132/1/First_Order_Temperature_Dependent_Phase_Transition_in_a_Monoclinic.pdf Fun, Hoong Kun and Chantrapromma, Suchada and 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 (7). pp. 10137-10149. ISSN 1420-3049 https://doi.org/10.3390/molecules190710137 |
| spellingShingle | QC1-999 Physics Fun, Hoong Kun Chantrapromma, Suchada Ong, Lye Hock First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach |
| title | First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach |
| title_full | First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach |
| title_fullStr | First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach |
| title_full_unstemmed | First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach |
| title_short | First Order Temperature Dependent Phase Transition in a Monoclinic Polymorph Crystal of 1,6-Hexanedioic Acid: An Interpretation Based on the Landau Theory Approach |
| title_sort | first order temperature dependent phase transition in a monoclinic polymorph crystal of 1 6 hexanedioic acid an interpretation based on the landau theory approach |
| topic | QC1-999 Physics |
| url | http://eprints.usm.my/39132/1/First_Order_Temperature_Dependent_Phase_Transition_in_a_Monoclinic.pdf |
| work_keys_str_mv | AT funhoongkun firstordertemperaturedependentphasetransitioninamonoclinicpolymorphcrystalof16hexanedioicacidaninterpretationbasedonthelandautheoryapproach AT chantraprommasuchada firstordertemperaturedependentphasetransitioninamonoclinicpolymorphcrystalof16hexanedioicacidaninterpretationbasedonthelandautheoryapproach AT onglyehock firstordertemperaturedependentphasetransitioninamonoclinicpolymorphcrystalof16hexanedioicacidaninterpretationbasedonthelandautheoryapproach |