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Mittapalli S, Perumalla DS, Nanubolu JB, et al. Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions. IUCrJ. 2017;4:812-823doi: 10.1107/S2052252517014658.
Mittapalli, S., Perumalla, D. S., Nanubolu, J. B., & Nangia, A. (2017). Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions. IUCrJ, 4812-823. https://doi.org/10.1107/S2052252517014658
Mittapalli, Sudhir, et al. "Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions." IUCrJ vol. 4 (2017): 812-823. doi: https://doi.org/10.1107/S2052252517014658
Mittapalli S, Perumalla DS, Nanubolu JB, Nangia A. Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions. IUCrJ. 2017 Oct 27;4:812-823. doi: 10.1107/S2052252517014658. eCollection 2017 Nov 01. PMID: 29123683; PMCID: PMC5668866.
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IUCrJ. 2017 Oct 27;4:812-823. doi: 10.1107/S2052252517014658. eCollection 2017 Nov 01.

Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions.

IUCrJ

Sudhir Mittapalli, D Sravanakumar Perumalla, Jagadeesh Babu Nanubolu, Ashwini Nangia

Affiliations

  1. School of Chemistry, University of Hyderabad, Professor C. R. Rao Road, Gachibowli, Hyderabad 500 046, India.
  2. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bengaluru 500 016, India.
  3. CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500 007, India.
  4. CSIR-National Chemical Laboratory, Dr Homi Bhabha Road, Pune 411 008, India.

PMID: 29123683 PMCID: PMC5668866 DOI: 10.1107/S2052252517014658

Abstract

The design and synthesis of mechanically responsive materials is interesting because they are potential candidates to convert thermal energy into mechanical work. Reported in this paper are thermosalient effects in a series of halogen derivatives of salinazids. The chloro derivative, with higher electronegativity and a weaker inter-halogen bond strength (Cl⋯Cl) exhibits an excellent thermal response, whereas the response is weaker in the iodo derivative with stronger I⋯I halogen bonding. 3,5-Di-chloro-salinazid (Compound-A) exists in three polymorphic forms, two room-temperature polymorphs (Forms I and II) and one high-temperature modification (Form III). The transformation of Form I to Form III upon heating at 328-333 K is a reversible thermosalient transition, whereas the transformation of Form II to Form III is irreversible and non-thermosalient. 3,5-Di-bromo- (Compound-B) and 3-bromo-5-chloro- (Compound-C) salinazid are both dimorphic: the Form I to Form II transition in Compound-B is irreversible, whereas Compound-C shows a reversible thermosalient effect (362-365 K). In the case of 3,5-di-iodo-salinazid (Compound-D) and 3,5-di-fluoro-salinazid (Compound-E), no phase transitions or thermal effects were observed. The thermosalient behaviour of these halosalinazid molecular crystals is understood from the anisotropy in the cell parameters (an increase in the

Keywords: crystal engineering; halogen bonds; hydrogen bonds; materials modelling; materials science; mechanochemistry; molecular crystals; polymorphism; salinazid

References

  1. IUCrJ. 2013 Oct 18;1(Pt 1):49-60 - PubMed
  2. J Am Chem Soc. 2010 Oct 13;132(40):14172-8 - PubMed
  3. Chem Commun (Camb). 2016 Mar 14;52(21):4037-40 - PubMed
  4. J Am Chem Soc. 2009 May 27;131(20):6890-1 - PubMed
  5. Chem Commun (Camb). 2013 Oct 18;49(81):9293-5 - PubMed
  6. IUCrJ. 2017 Jan 01;4(Pt 1):1-2 - PubMed
  7. J Am Chem Soc. 2015 Feb 11;137(5):1895-902 - PubMed
  8. Science. 2002 Mar 29;295(5564):2400-3 - PubMed
  9. Angew Chem Int Ed Engl. 2007;46(4):506-28 - PubMed
  10. Sci Rep. 2016 Jul 12;6:29610 - PubMed
  11. Chem Asian J. 2013 Jul;8(7):1551-68 - PubMed
  12. Angew Chem Int Ed Engl. 2009;48(21):3838-41 - PubMed
  13. Chemistry. 2016 Jun 1;22(23 ):7763-70 - PubMed
  14. Biointerphases. 2012 Dec;7(1-4):9 - PubMed
  15. Nat Mater. 2010 Jan;9(1):36-9 - PubMed
  16. J Am Chem Soc. 2010 Oct 13;132(40):14191-202 - PubMed
  17. Chem Soc Rev. 2004 Nov 30;33(9):579-88 - PubMed
  18. Sci Rep. 2016 Apr 25;6:24761 - PubMed
  19. Chem Commun (Camb). 2008 Jan 21;(3):326-8 - PubMed
  20. Nat Chem. 2016 Jun 21;8(7):644-56 - PubMed
  21. Chem Commun (Camb). 2012 Feb 14;48(14):1947-57 - PubMed
  22. J Am Chem Soc. 2013 Aug 21;135(33):12241-51 - PubMed
  23. Chem Rev. 2000 May 10;100(5):1777-1788 - PubMed
  24. IUCrJ. 2013 Dec 31;1(Pt 1):5-7 - PubMed
  25. Chem Rev. 2015 Nov 25;115(22):12440-90 - PubMed
  26. Nat Chem. 2009 Nov;1(8):605-10 - PubMed
  27. Nat Commun. 2012;3:1270 - PubMed
  28. Nat Chem. 2009 Aug;1(5):347-8 - PubMed
  29. Nat Chem. 2014 Dec;6(12):1079-83 - PubMed
  30. Nat Mater. 2007 Feb;6(2):93-4 - PubMed

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