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Structural diversity of solid solutions formed between 3-chloro-trans-cinnamic acid and 3-bromo-trans-cinnamic acid

Khoj, Manal A, Hughes, Colan Evan, Harris, Kenneth David Maclean and Kariuki, Benson 2017. Structural diversity of solid solutions formed between 3-chloro-trans-cinnamic acid and 3-bromo-trans-cinnamic acid. Crystal Growth and Design 17 (3) , pp. 1276-1284. 10.1021/acs.cgd.6b01675

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Abstract

The formation and structural properties of solid solutions containing 3-chloro-trans-cinnamic acid (3-ClCA) and 3-bromo-trans-cinnamic acid (3-BrCA) are explored across a range of compositions. Two distinct γ-type structures of 3-ClCA/3-BrCA solid solutions and two distinct β-type structures of 3-ClCA/3-BrCA solid solutions are reported and structurally characterized. One of the γ-type structures is isostructural with the known γ polymorphs of pure 3-ClCA and pure 3-BrCA, whereas the other γ-type structure has not been observed previously for either pure 3-ClCA or pure 3-BrCA (representing a rare case in which the structure of the solid solution is not known for the pure phases of either of the constituent molecules). One of the β-type structures of the 3-ClCA/3-BrCA solid solutions is similar to the β polymorph of pure 3-ClCA, whereas the other β-type structure is similar to the β polymorph of pure 3-BrCA. The specific β-type structure formed is found to depend on the relative amounts of 3-BrCA and 3-ClCA in the solid solution. UV irradiation of the β-type 3-ClCA/3-BrCA solid solution with 1:1 composition yields three different photodimers, with substituents {Cl,Cl}, {Cl,Br}, or {Br,Br} in the approximate ratio 1:2:1 respectively, consistent with the occurrence of a topochemical reaction in a solid solution with a random distribution of 3-ClCA and 3-BrCA molecules.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Subjects: Q Science > QD Chemistry
Publisher: American Chemical Society
ISSN: 1528-7483
Date of First Compliant Deposit: 7 February 2017
Date of Acceptance: 18 January 2017
Last Modified: 29 Jun 2019 16:34
URI: http://orca.cf.ac.uk/id/eprint/98114

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