Asymmetric crystal growth of alpha-resorcinol from the vapor phase:surface reconstruction and conformational change are the culprits

Anwar, Jamshed and Chatchawalsaisin, Jittima and Kendrick, John (2007) Asymmetric crystal growth of alpha-resorcinol from the vapor phase:surface reconstruction and conformational change are the culprits. Angewandte Chemie International Edition, 46 (29). pp. 5537-5540. ISSN 1433-7851

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Abstract

Differential growth: The growth of crystals of α-resorcinol (see picture; C gray, H white, O red) from the vapor phase is asymmetric along the polar axis. By means of molecular-dynamics simulations, the slower growth at the (011) polar surface is traced back to conformational change of the molecule and to surface reconstruction, which may be a general phenomenon in polar crystals.

Item Type:
Journal Article
Journal or Publication Title:
Angewandte Chemie International Edition
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1500/1503
Subjects:
?? PACKAGESOLVENTSOLIDSDENSITY FUNCTIONAL CALCULATIONSRIDDLECRYSTAL GROWTHTRANSITIONSPOLAR CRYSTALSMOLECULAR DYNAMICSSIMULATIONRESORCINOLCHEMISTRY(ALL)CATALYSIS ??
ID Code:
62193
Deposited By:
Deposited On:
13 Feb 2013 15:04
Refereed?:
Yes
Published?:
Published
Last Modified:
20 Sep 2023 00:27