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Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane

Astrid Götze ; Department of Materials Science, Fachgebiet Strukturforschung, University of Technology Darmstadt, Petersenstr. 23, 64287 Darmstadt, Germany
Claudia Buhrmester ; Department of Materials Science, Fachgebiet Strukturforschung, University of Technology Darmstadt, Petersenstr. 23, 64287 Darmstadt, Germany
Ingrid Svoboda ; Department of Materials Science, Fachgebiet Strukturforschung, University of Technology Darmstadt, Petersenstr. 23, 64287 Darmstadt, Germany
Hartmut Fuess ; Department of Materials Science, Fachgebiet Strukturforschung, University of Technology Darmstadt, Petersenstr. 23, 64287 Darmstadt, Germany

Puni tekst: engleski, pdf (146 KB) str. 443-456 preuzimanja: 196* citiraj
APA 6th Edition
Götze, A., Buhrmester, C., Svoboda, I. i Fuess, H. (1999). Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane. Croatica Chemica Acta, 72 (2-3), 443-456. Preuzeto s https://hrcak.srce.hr/132183
MLA 8th Edition
Götze, Astrid, et al. "Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane." Croatica Chemica Acta, vol. 72, br. 2-3, 1999, str. 443-456. https://hrcak.srce.hr/132183. Citirano 03.04.2020.
Chicago 17th Edition
Götze, Astrid, Claudia Buhrmester, Ingrid Svoboda i Hartmut Fuess. "Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane." Croatica Chemica Acta 72, br. 2-3 (1999): 443-456. https://hrcak.srce.hr/132183
Harvard
Götze, A., et al. (1999). 'Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane', Croatica Chemica Acta, 72(2-3), str. 443-456. Preuzeto s: https://hrcak.srce.hr/132183 (Datum pristupa: 03.04.2020.)
Vancouver
Götze A, Buhrmester C, Svoboda I, Fuess H. Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane. Croatica Chemica Acta [Internet]. 1999 [pristupljeno 03.04.2020.];72(2-3):443-456. Dostupno na: https://hrcak.srce.hr/132183
IEEE
A. Götze, C. Buhrmester, I. Svoboda i H. Fuess, "Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane", Croatica Chemica Acta, vol.72, br. 2-3, str. 443-456, 1999. [Online]. Dostupno na: https://hrcak.srce.hr/132183. [Citirano: 03.04.2020.]

Sažetak
The crystal structure of 3-chloro-2,2-bis(chloromethyl)propionic acid-1 was determined from single crystal data. The compound crystallizes in the acentric monoclinic space group P21. Lattice constants at T = 304 K are a = 6.961(1) Å, b = 9.979(2) Å, c = 12.0569(3) Å, b = 94.01(2)°. Structure refinement on 1736 independent reflections yielded R = 0.041. Two molecules are interconnected by hydrogen bridges to form dimers. Thermal analysis and temperature dependent X-ray and IR-measurements gave no indication of a phase transition in the range 150 K < T < 384 K. An order-disorder phase transition was detected for 1,3-dichloro-2,2-dimethylpropane at TI→II = 194.3 K, with a plastic cubic phase in the range 194.3 K < T < 259.1 K. The lattice constant in space group Fm3m is a = 9.24 Å at 220 K with a thermal expansion coefficient a(200 K) = 2.6769 x 10–4 K–1. The entropy at the melting point Tm = 259.1 K and at the solid-solid phase transition TI→II = 194.3 K is rather low giving strong evidence of a plastic phase. Powder X-ray diffraction pattern in the ordered phase at T = 160 K gave indication of monoclinic symmetry with a = 12.27 Å, b = 10.86 Å, c = 10.68 Å, b = 111.8°. Temperature dependent infrared measurements revealed the conformation of the molecule.

Ključne riječi
ODIC phases; order-disorder; thermoanalysis; crystal structure; pivalic acid

Hrčak ID: 132183

URI
https://hrcak.srce.hr/132183

Posjeta: 349 *