Skip to main content
SpringerLink
Log in

Synthesis, crystal structure, physicochemical characterization, and dielectric properties of a new organic chloride salt, (C3H7N6)Cl•0.5H2O

  • Original Paper
  • Published:
Ionics Aims and scope Submit manuscript

Abstract

The crystallization of (C3H7N6)Cl•0.5H2O is made by slow evaporation at room temperature. It was found to crystallize in the monoclinic system, C2/m space group, with the following lattice parameters: a = 12.4124 (5) Å, b = 17.6339 (7) Å, c = 7.1193 (3) Å, β = 115.057 (2)°, Z = 4, and V = 1411.61 (10) Å3. The cohesion in (C3H7N6)Cl•0.5H2O is provided by three types of hydrogen bonds, O–H…Cl, N–H…O, N–H…Cl, and N–H… N. Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed on the basis of literature data. The optical study was also investigated by UV-Vis absorption. The differential scanning calorimetric (DSC) and dielectric study of this compound has been measured. The percentages of hydrogen bonding interactions are analyzed by fingerprint plots of Hirshfeld surface.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8
Fig. 9
Fig. 10
Fig. 11
Fig. 12
Fig. 13
Fig. 14
Fig. 15

Similar content being viewed by others

References

  1. Fernandez-Liencres MP, Navarro A, Lopez-Gonzalez JJ, Fernandez-Gomez M, Tomkinson J, Kearley GJ (2001) Measurement and ab initio modeling of the inelastic neutron scattering of solid melamine. Chem Phys 266:1–17

    Article  CAS  Google Scholar 

  2. Ouahab L (1997) Organic/Inorganic Supramolecular Assemblies and Synergy between Physical Properties. Chem Mater 9:1909–1926

    Article  CAS  Google Scholar 

  3. Ishihara T, Takahashi J, Goto T (1990) Optical properties due to electronic transitions in two-dimensional semiconductors (CnH2n+1NH3)2PbI4. Phys Rev B 42:11099–11107

    Article  CAS  Google Scholar 

  4. Lassoued MS, Abdelbaky MSM, Ben Soltan W, lassoued A, Ammar S, Gadri A, Ben Salah A, Garcia Granda S (2018) Structure characterization, photoluminescence and dielectric properties of a new hybrid compound containing chlorate anions of zincate (II). J Mol Struct 1158:221–228

    Article  CAS  Google Scholar 

  5. Takada J, Awaji H, Koshioka M, Nakajima A, Nevin WA (1992) Organic–inorganic multilayers: a new concept of optoelectronic material. Appl Phys Lett 61:2184–2186

    Article  CAS  Google Scholar 

  6. Mitzi DB, Field CA, Schlesinger Z, Laibowitz RB Transport(1995) Transport, optical, and magnetic properties of the conducting halide perovskite CH3NH3SnI3. J Solid State Chem 114:159–163

    Article  CAS  Google Scholar 

  7. Gomez-Romero P, Chojak M, Cuentas-Gallegos K, Asensio JA, Kulesza PJ, Casan-Pastor N, Lira-Cantu M (2003) Hybrid organic–inorganic nanocomposite materials for application in solid state electrochemical supercapacitors. Electrochem Commun 5:149–153

    Article  CAS  Google Scholar 

  8. Baklouti Y, chaari N, Feki H, Chniba-Boudjada N, Zouari F (2015) Crystal structure, vibrational studies, optical properties and DFT calculations of 2-amino-5-diethyl-aminopentanium tetrachlorocadmate (II). Spectrochim Acta A Mol Biomol Spectrosc 136:397–404

    Article  CAS  Google Scholar 

  9. Hajlaoui S, Chaabane I, Lhoste J, Bulou A, Guidara K (2016) Structural characterization, vibrational spectroscopy accomplished with DFT calculation, thermal and dielectric behaviors in a new organic-inorganic tertrapropylammonium aquapentachlorostannate dihydrate compound. J Alloys Compd 679:302–315

    Article  CAS  Google Scholar 

  10. Shapiro A, Landee CP, Turnbull MM, Jornet J, Deumal M, Novoa JJ, Robb MA, Lewis W (2007) Synthesis, structure, and magnetic properties of an antiferromagnetic spin-ladder complex: Bis(2,3-dimethylpyridinium) tetrabromocuprate. J Am Chem Soc 129:952–959

    Article  CAS  Google Scholar 

  11. Saparov B, Mitzi DB (2016) Organic–inorganic perovskites: structural versatility for functional materials design. Chem Rev 116:4558–4596

    Article  CAS  Google Scholar 

  12. Lee KW, Lee CH, Lee CE (1996) Phase transitions and critical dynamics in (C18H37NH3)2SnCl6. J Chem Phys 104:6964–6966

    Article  CAS  Google Scholar 

  13. Wang S, Mitzi DB, Field CA, Guloy A (1995) Synthesis and characterization of [NH2C(I):NH2]3MI5 (M = Sn, Pb): stereochemical activity in divalent in and lead halides containing single .ltbbrac.110.rtbbrac. perovskite sheets. J Am Chem Soc 117:5297–5302

    Article  CAS  Google Scholar 

  14. Mitzi DB, Liang K, Wang S (1998) Synthesis and characterization of [NH2C(I)NH2]2ASnI5with A = iodoformamidinium or formamidinium: the chemistry of cyanamide and tin(II) iodide in concentrated aqueous hydriodic acid solutions. Inorg Chem 37:321–327

    Article  CAS  Google Scholar 

  15. SHELXS97, Sheldrick GM (1986) Program for crystal structure solution. University of Göttingen, Germany

    Google Scholar 

  16. SHELXL97, Sheldrick GM (1986) Program for crystal structure solution. University of Göttingen, Germany

    Google Scholar 

  17. Brandenburg K, Berndt M (2001) Diamond version 2.1, crystal impact. Bonn

  18. Wolff SK, Grimwood DJ, Mckinnon JJ, Turner MJ, Jayatilaka D, Spackman MA (2012) Crystal Explorer 3.0. University of Western Australia

  19. Zhang J, Kang Y, Wen YH, Li ZJ, Quin YY, Yao YG (2004) Acta Crystallogr E60:462

    Google Scholar 

  20. Marchewka MK, Janczak J, Debrus S, Baran J, Ratajczak H (2003) Crystal structure, vibrational spectra and nonlinear optical properties of tetrakis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(selenate) trihydrate crystal. Solid State Sci 5:643–652

    Article  CAS  Google Scholar 

  21. Tanbug R, Kirschbaum K, Pinkerton A (1999) J Chem Crystallogr 29:45–55

    Article  CAS  Google Scholar 

  22. Scoponi M, Polo E, Pradella F, Bertolasi V, Carassiti V, Goberti P (1992) J Chem Soc Perkin Trans 2:1127

    Article  Google Scholar 

  23. Bernstein J, Davis RE, Shimoni L, Chang N-L (1995) Patterns in hydrogen bonding: functionality and graph set analysis in crystals. J Angew Chem Int Ed Engl 34:1555–1573

    Article  CAS  Google Scholar 

  24. Saber Lassoued M, Abdelbaky MSM, Mendoza Merono R, Gadri A, Ammar S, Salah AB, García-Granda S (2017) Structure, spectroscopic measurement, thermal studies and optical properties of a new hybrid compound of aquapentachloroindoidate(III) complex. J Mol Struct 1142:73–79

    Article  Google Scholar 

  25. Luo YH, Wu GG, Mao SL, Sun BW (2013) Complexation of different metals with a novel N-donor bridging receptor and Hirshfeld surfaces analysis. Inorg Chim Acta 397:1–9

    Article  CAS  Google Scholar 

  26. Spackman MA, McKinnon JJ (2002) Fingerprinting intermolecular interactions in molecular crystals. CrystEngComm 4:378–392

    Article  CAS  Google Scholar 

  27. Larkin PJ, Makowski MP, Colthoup NB (1999) The form of the normal modes of s-triazine: infrared and Raman spectral analysis and ab initio force field calculations. Spectrochim Acta A 55:1011–1020

    Article  Google Scholar 

  28. Wang YL, Mebel AM, Wu CJ, Chen YT, Lin CE, Jiang JC (1997) IR spectroscopy and theoretical vibrational calculation of the melamine molecule. J Chem Soc Faraday Trans 93:3445–3451

    Article  CAS  Google Scholar 

  29. Arjunan V, Kalaivani M, Marchewka MK, Mohan S (2013) Structural and vibrational spectral investigations of melaminium maleate monohydrate by FTIR, FT-Raman and quantum chemical calculations. Spectrochim Acta A Mol Biomol Spectrosc 107:90–101

    Article  CAS  Google Scholar 

  30. Krishnan P, Gayathri K, Rajakumar PR, Jayaramakrishnan V, Gunasekaran S, Anbalagan G (2014) Studies on crystal growth, vibrational, optical, thermal and dielectric properties of new organic nonlinear optical crystal: Bis (2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate single crystal. Spectrochim Acta A Mol Biomol Spectrosc 131:114–124

    Article  CAS  Google Scholar 

  31. Meier RJ, Tiller A, Vanhommerig SAM (1995) Molecular modeling of melamine-formaldehyde resins. 2. Vibrational spectra of methylolmelamines and bridged methylolmelamines. J Phys Chem 99:5457–5464

    Article  CAS  Google Scholar 

  32. Jones WJ, Orville-Thomas WJ (1959) The infra-red spectrum and structure of melamine. Trans Faraday Soc 55:203

    Article  CAS  Google Scholar 

  33. Larkin PJ, Makowski MP, Colthup NB, Food LA (1998) Vibrational analysis of some important group frequencies of melamine derivatives containing methoxymethyl, and carbamate substituents: mechanical coupling of substituent vibrations with triazine ring modes. Vib Spectrosc 17:53–72

    Article  CAS  Google Scholar 

  34. Jones WJ, Orville-Thomas WJ (1959) The infra-red spectrum and structure of dicyandiamide. Trans Faraday Soc 55:193

    Article  CAS  Google Scholar 

  35. Ben Rhaiem A, Guidara K, Gargouri M, Daoud A (2005) Electrical properties and equivalent circuit of trimethylammonium monobromodichloromercurate. J Alloys Compd 392:68–71

    Article  CAS  Google Scholar 

  36. Venkaterwarlu P, Laha A, Krupanidhi SB (2005) AC properties of laser ablated La-modified lead titanate thin films. Thin Solid Films 474:1–9

    Article  Google Scholar 

  37. Tareev B (1975) Physics of dielectric materials. Mir Publishers, Moscow

    Google Scholar 

  38. Kurien S, Mathew J, Sebastian S, Potty SN, George KC (2006) Dielectric behavior and ac electrical conductivity of nanocrystalline nickel aluminate. Mater Chem Phys 98:470–476

    Article  CAS  Google Scholar 

  39. Anantha PS, Harihanan K (2005) Conductivity analysis and dielectric relaxation behaviour of NaNO3–Al2O3 composites. Mater Sci Eng B 121:12–19

    Article  Google Scholar 

  40. Das PS, Chakraborty PK, Behera B, Choudhary RNP (2007) Electrical properties of Li2BiV5O15 ceramics. Phys B 395:98–103

    Article  CAS  Google Scholar 

  41. Behera B, Nayak P, Choudhary RNP (2008) Structural and impedance properties of KBa2V5O15 ceramics. Mater Res Bull 43:401–410

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Laboratoire des Sciences des Matériaux et d’Environnement, Faculté des Sciences de Sfax, BP 1171, 3000, Sfax, Tunisia

    Radhia Mesbeh, Besma Hamdi & Ridha Zouari

Authors
  1. Radhia Mesbeh
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Besma Hamdi
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Ridha Zouari
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Radhia Mesbeh.

Additional information

Publisher’s note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Appendix

Appendix

Supplementary material

Supplementary crystallographic data for this article in CIF format are available as Electronic Supplementary Publication from Cambridge Crystallographic Data Centre (CCDC 1494324). This data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html, or from the Cambridge Crystallographic Data Centre, 12 Union Rood, Cambridge CB2 1EZ, UK (Fax: (international): +441,223/336033; e-mail:deposit@ccdc.cam.ac.uk).

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Mesbeh, R., Hamdi, B. & Zouari, R. Synthesis, crystal structure, physicochemical characterization, and dielectric properties of a new organic chloride salt, (C3H7N6)Cl•0.5H2O. Ionics 25, 6147–6160 (2019). https://doi.org/10.1007/s11581-019-03092-4

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11581-019-03092-4

Keywords

Search

Navigation