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Nanoclusters of Cyanuric Acid

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Abstract

In this article, the self-assembly of cyanuric acid (CA) molecules into nano-structures is examined. Equilibrium geometry of CA is planar and it belongs to the D 3h point group. It is shown that CA clusters form three dimensional bowls and balls. Cyclic pentamer (5-bowl) is the basic motif responsible for these non-planar geometries. It is also shown that the cyclic hexamer based clusters can be non-planar if they contain a 5-bowl. A unified criterion for the formation of bowls and balls from basic molecular building blocks emerges from this study. The role of symmetry in supramolecular self-assembly is also clearly evident from the present study.

This article demonstrates that clusters of cyanuric acid with complementary hydrogen bonding interaction sites could result in the formation of bowls and balls in addition to the well - known planar sheet structures.

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Acknowledgments

This study has been supported by a grant from the Council of Scientific and Industrial Research, New Delhi. One of the authors (ME) thanks CSIR for financial assistance. NS is grateful to the Department of Science and Technology, New Delhi for a J. C. Bose National Fellowship. NS is an Honorary Professor at the Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru.

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Authors and Affiliations

  1. Chemical Laboratory, CSIR-Central Leather Research Institute, Adyar, Chennai, 600 020, India

    M ELANGO & V SUBRAMANIAN

  2. Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona, 85721, USA

    M ELANGO

  3. Indian Institute of Science Education and Research Mohali, Sector 81, SAS Nagar, Manauli, P.O. 140306, India

    N SATHYAMURTHY

  4. Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, 560 064, India

    N SATHYAMURTHY

Authors
  1. M ELANGO
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  2. V SUBRAMANIAN
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  3. N SATHYAMURTHY
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Correspondence to V SUBRAMANIAN or N SATHYAMURTHY.

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Special Issue on THEORETICAL CHEMISTRY/CHEMICAL DYNAMICS

Dedicated to the memory of the late Professor Charusita Chakravarty.

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ELANGO, M., SUBRAMANIAN, V. & SATHYAMURTHY, N. Nanoclusters of Cyanuric Acid. J Chem Sci 129, 873–881 (2017). https://doi.org/10.1007/s12039-017-1259-5

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  • DOI: https://doi.org/10.1007/s12039-017-1259-5

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