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Title: Dipole-Moment-Driven Cooperative Supramolecular Polymerization
Authors: Kulkarni, Chidambar
Bejagam, Karteek K.
Senanayak, Satyaprasad P.
Narayan, K. S.
Balasubramanian, Sundaram
George, Subi J.
Keywords: Chemistry
Perylene Bisimide Dyes
Chiral Amplification
Bonding Interactions
Soldiers Principle
Issue Date: 2015
Publisher: American Chemical Society
Citation: Journal of the American Chemical Society
Kulkarni, C.; Bejagam, K. K.; Senanayak, S. P.; Narayan, K. S.; Balasubramanian, S.; George, S. J., Dipole-Moment-Driven Cooperative Supramolecular Polymerization. J. Am. Chem. Soc. 2015, 137 (11), 3924-3932.
Abstract: While the mechanism of self-assembly of a-conjugated molecules has been well studied to gain control over the structure and functionality of supramolecular polymers; the intermolecular interactions underpinning it are poorly understood. Here, we study the mechanism of self-assembly of perylene bisimide derivatives possessing dipolar carbonate groups as linkers. It was observed that the combination of carbonate linkers and cholesterol/dihydrocholesterol self-assembling Moieties led to a cooperative mechanism of self-assembly. Atomistic molecular dynamics Simulations of an assembly in explicit solvent strongly Suggest that the dipole dipole interaction between the carbonate groups imparts a macro-dipolar character to the assembly. This is confirmed experimentally through the observation of a significant polarization in the bulk phase for molecules following a cooperative mechanism. The cooperativity is attributed to the presence of dipole dipole interaction in the assembly. Thus, anisotropic long-range intermolecular interactions such as dipole dipole interaction can Serve as a way to obtain cooperative self-assembly and aid in rationalizing and predicting the mechanisms in various synthetic supramolecular polymers:
Description: Restricted access
ISSN: 0002-7863
Appears in Collections:Research Articles (Narayan K. S.)

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