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A New Approach to the Crystal Engineering of Organic Compounds: Application to a Solid-State Photoreactive System
N. W. Thomas, S. Ramdas and J. M. Thomas
Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences
Vol. 400, No. 1819 (Aug. 8, 1985), pp. 219-227
Published by: Royal Society
Stable URL: http://www.jstor.org/stable/2397962
Page Count: 9
You can always find the topics here!Topics: Molecules, Atoms, Crystals, Hydrogen, Molecular clusters, Crystal structure, Reactivity, Phenyls, Molecular interactions, Molecular structure
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A set of computational procedures is described for the analysis of non-bonded forces in crystalline organic compounds. These methods are applied to the photoreactive compound 2-benzyl-5-benzylidene-cyclopentanone (BBCP) and its derivatives. The influence of substituents on the solid-state reactivities and modes of molecular packing is rationalized and an extension of these ideas to the engineering of solids of desired reactivity is outlined.
Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences © 1985 Royal Society