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Reversible Structural Phase Transition of Pyridinium-4-carboxylic Acid Perchlorate by Heng-Yun Ye; Hong-Ling Cai; Jia-Zeng Ge; Ren-Gen Xiong is a Materials Science article available to read on EtoBox.

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Pyridinium-4-carboxylic acid perchlorate (C~6~H~6~NO~2~·ClO~4~) was synthesized and separated as crystals. Differential scanning calorimetry measurement shows that this compound undergoes a reversible phase transition at about 122 K with a heat hysteresis of 1.8 K. A dielectric anomaly observed at 127 K further confirms the phase transition. The low-temperature (LT;__T__= 103 K) structure has space group__P__2~1~/__c__and cell parameters__a__= 17.356 (6),__b__= 13.241 (3),__c__= 16.161 (7) Å, β = 138.055 (17)°. The high-temperature (HT;__T__= 298 K) structure has space group__P__2~1~/__c__and cell parameters__a__= 5.5046 (11),__b__= 13.574 (3),__c__= 11.834 (2) Å, β = 99.35 (3)°, but can be re-described using new axesa′ =a,b′ =b,c′ = −2a+c,__V__′ =__V__to give the cell__a__′ = 5.5046 (11),__b__′ = 13.574 (3),__c__′ = 17.424 (3) Å, β′ = 137.92 (3)° and space group__P__2~1~/__c__. The associated coordinate transformation is__x__′ =__x__+ 2__z__,__y__′ =__y__,__z__′ =__z__and the associated reflection index transformation is__h__′ =__h__,__k__′ =__k__,__l__′ =__l__− 2__h__. The relationship between the two cells is 3a,b,c(HT) approximatesa,b,c(LT). The crystal comprises one-dimensiona

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Author

Heng-Yun Ye; Hong-Ling Cai; Jia-Zeng Ge; Ren-Gen Xiong

Publisher

International Union of Crystallography; Blackwell Publishing Inc.; International Union of Crystallography (IUCr) (ISSN 0021-8898)

Published

2010

Language

EN

Field

Materials Science (Physical Sciences)