Philip Anthony, S. ; Raghavaiah, P. ; Radhakrishnan, T. P. (2003) Extreme molecular orientations in a dimorphic system: polar/centric and polar/polar cogrowth crystal architectures Crystal Growth & Design, 3 (5). pp. 631-634. ISSN 1528-7483
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Official URL: http://pubs.acs.org/doi/abs/10.1021/cg0340594
Related URL: http://dx.doi.org/10.1021/cg0340594
Abstract
(4-Pyrrolidinopyridyl)bis(acetylacetonato)zinc(II) forms perfectly polar as well as centrosymmetric crystal structures depending sensitively on the solvent and the rate of crystallization. Semiempirical computational modeling of molecular clusters, incorporating solvation effects, highlights the delicate balance of energetics involved in the solvent polarity preference of the extreme structures. A suitable choice of solvents provides crystals exhibiting an unusual cogrowth of polar/centric as well as polar/polar domains. This material provides a vivid illustration of the subtle nature of supramolecular assembly leading to extreme organizational motifs and opens up possibilities of realizing novel multidomain architectures in crystals.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 65903 |
| Deposited On: | 19 Oct 2011 14:24 |
| Last Modified: | 19 Oct 2011 14:24 |
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