Abstract
An effective organic creatinium 4-methylbenzenesulfonate (C4MBS) was synthesized and its structural, optical, mechanical, thermal and nonlinearity were analysed. The X-ray diffraction pattern reveals the centrosymmetric crystalline framework of C4MBS crystal and the experimental structural parameters agrees with the computed values obtained from Gaussian’09 software package with some light deviations in some places due to solid state effects. The Hirshfeld surface analysis was done to study the numerous kinds of molecular interactions exists in the lattice. The functional groups were identified by FTIR spectral analysis. The linear optical parameters such as band gap energy, cut off wavelength, extinction coefficient and refractive index were calculated and analysed and the low band gap energy indicates the materials good optical behaviour. The Urbach energy was also calculated and the low value indicates the good crystalline nature of the material. The green light emission was confirmed by exciting the material with 280 nm wavelength. The nonlinear optical parameters such as dipole moment, polarizability and hyperpolarizability were calculated by Z-scan analysis with the help of Nd:YAG laser and the material exhibit excellent Third Order Nonlinear Optical (TONLO) property with reverse saturable absorption behaviour.
Similar content being viewed by others
Data availability
The raw/processed data required to reproduce these findings of the present report cannot be shared at this time as the data are also part of an on-going study.
References
D. Lumpi, F. Glöcklhofer, B. Holzer, B. Stöger, C. Hametner, G.A. Reider, J. Fröhlich, Systematic investigations on 1, 2, 3-triazole-based compounds capable of second harmonic generation. Cryst. Growth Des. 14(3), 1018–1031 (2014)
Santanu Bhattacharya, Parthasarathi Dastidar, T.N. Guru Row, Hydrogen-bond-directed self-assembly of D-(+)-dibenzoyltartaric acid and 4-aminopyridine: optical nonlinearities and stoichiometry-dependent novel structural features. Chem. Mater. 6(4), 531–537 (1994)
T. Pal, T. Kar, G. Bocelli, L. Rigi, Synthesis, growth, and characterization of L-arginine acetate crystal: a potential NLO material. Cryst. Growth Des. 3(1), 13–16 (2003)
Anna Zawadzka, P. Płóciennik, J. Strzelecki, A. Korcala, A.K. Arof, Bouchta Sahraoui, Impact of annealing process on stacking orientations and second order nonlinear optical properties of metallophthalocyanine thin films and nanostructures. Dyes Pigm. 101, 212–220 (2014)
J.H. Joshi, S. Kalainathan, D.K. Kanchan, M.J. Joshi, K.D. Parikh, Effect of l-threonine on growth and properties of ammonium dihydrogen phosphate crystal. Arab. J. Chem. 13(1), 1532–1550 (2020)
Xiao, J. L., Luo, R. S., Shi, Y., Guo, Q., Zhou, Z. X., & Zhao, C. S. (2022). Synthesis, crystal structure and dft study of benzenesulfonamide compounds 1-ethyl-4-(phenylsulfonyl) piperazine and 1-((3-bromophenyi) sulfonyl)-4-methyipiperazine. Molecular Crystals and Liquid Crystals, 1–11.
S. Surya, B. Gunasekaran, T.S. Girisun, Synthesis, growth, crystal structure, thermal, optical, electrical and third-order nonlinear optical properties of creatininium phthalate as a new nonlinear optical single crystal. J. Mater. Sci.: Mater. Electron. 33(11), 8683–8701 (2022)
J. Beena, A.S. Jebamalar, S. Sindhusha, T.C. Sabari Girisun, A. Dhanusha, Optical limiting non-linear optical activity of hexaaqua copper (II) toluene-4-sulfonate for laser-driven optoelectronic application. J. Mater. Sci.: Mater. Electron. 32(23), 27198–27215 (2021)
H. Raval, P.S. Raval, B.B. Parekh, M.J. Joshi, Growth, characterization and theoretical parameter study of benzimidazole L-tartrate single crystal: a nonlinear optical material. Bull. Mater. Sci. 44, 1–16 (2021)
J. Beena, A.S. Jebamalar, S. Sindhusha, T. Kamalesh, Growth, characterization and optical limiting activity of third-order nonlinear optical material: hexaaqua cobalt (II) bis (p-Toluenesulfonate)(PTCO). J. Mater. Sci.: Mater. Electron. 33(25), 20424–20438 (2022)
V. Thayanithi, P. Praveen Kumar, Investigation on optical, laser damage threshold and non linear optical behavior of creatininium p-toluenesulfonate crystal for electro-optical applications. J. Mater. Sci.: Mater. Electron. 31(24), 22098–22106 (2020)
V. Thayanithi, P. Praveen Kumar, Unidirectional growth, optical and dielectrical behavior of Nicotinium p-Toluenesulfonate crystal for optoelectronic applications. Mate. Lett. 285, 129189 (2021)
V. Thayanithi, P. Praveen Kumar, Growth, optical, mechanical and thermal behavior of unidirectionally grown L-Glutaminium p-Toluenesulfonate crystal. Mater. Res. Express 6(4), 046207 (2019)
V. Thayanithi, K. Rajesh, P. Praveen Kumar, Investigation of unidirectional growth and characterization of nonlinear optical L-alaninium p-toluenesulfonate crystal. Mater. Res. Express 4(8), 086201 (2017)
V. Thayanithi, P. Praveen Kumar, B. Gunasekaran, creatinium 4-methylbenzenesulfonate. IUCrDATA 1(10), x161622 (2016)
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. B. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyenga, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, R.L. Ochterski, K. Martin, V.G. Morokuma, G.A. Zakrzewski, P. Voth, P. Salvador, J.J. Dannenberg, A.D. Dapprich, O. Daniels, J.B. Farkas, J.V. Foresman, J. Ortiz, C. Cioslowski, D.J. Fox, Gaussian 09 Rev A.02, Gaussian, Inc., Wallingford CT, 2016.
Denningten, R., T. Keith, J. Millam, and T. Keith Denningten. "Gaussview version 5.0. 8, Gaussian, Inc, 235 wallingford CT." In Gaussview Version 5.0. 8, vol. 235. Gaussian, Inc wallingford CT, 2009.
Turner, M. J., McKinnon, J. J., Wolff, S. K., Grimwood, D. J., Spackman, P. R., Jayatilaka, D. &Spackman, M. A. (2017). CrystalExplorer 17.5. The University of Western Australia.
S. Sindhusha, C.M. Padma, B. Gunasekaran, H. Marshan Robert, Structural, optical and thermal analysis of creatininium borate – A new semiorganicnlo single crystal. J. Mol. Struct. 1209, 127981 (2020)
R. Thirumurugan, B. Babu, K. Anitha, J. Chandrasekaran, Experimental and density functional theory (DFT): a dual approach to probe the key properties of creatininium l-tartrate monohydrate single crystal for nonlinear optical applications. J. Mol. Struct. 1149, 48–57 (2017)
Pichan Karuppasamy, Senthil Pandian Muthu, Ramasamy Perumalsamy, Crystal growth and characterization of third order nonlinear optical piperazinium bis (4-hydroxybenzenesulphonate) (P4HBS) single crystal. J. Cryst. Growth 473, 39–54 (2017)
K. Senthilkannan, Growth, fluorescence and theoretical studies of B2CPCD crystals–Comparative analysis in macro and nano scaled crystals. Mater. Today: Proc. 33, 4368–4371 (2020)
K. Karrouchi, S. Fettach, `Synthesis, crystal structure, spectroscopic characterization, α-glucosidase inhibition and computational studies of (E)-5-methyl-N’-(pyridin-2-ylmethylene)-1H-pyrazole-3-carbohydrazide’. J. Mol. Struct. 1248, 131506 (2022)
S. Sindhusha, C.M. Padma, B. Gunasekaran, Crystal structure, spectroscopic characterization, mechanical, thermal and theoretical investigations on creatininium benzenesulfonate-A new organic NLO single crystal. J. Mol. Struct. 1221, 128863 (2020)
T.P. Srinivasan, R. Indirajith, R. Gopalakrishnan, Growth and characterization of 1H-Imidazolinium Hydrogen l-tartrate single crystals. J. Cryst. Growth 312(4), 542–547 (2010)
K. Senthil, S. Kalainathan, F. Hamada, M. Yamada, P.G. Aravindan, Synthesis, growth, structural and HOMO and LUMO, MEP analysis of a new stilbazolium derivative crystal: a enhanced third-order NLO properties with a high laser-induced damage threshold for NLO applications. Opt. Mater. 46, 565–577 (2015)
S. Priya, T. Umadevi, S. Gowri, G. Vinitha, Crystal growth, structural, spectral, optical, DFT analysis and Z-scan analysis of pyridine-1-ium-2-carboxylatehydrogenbromide (PHBr) for optoelectronic and nonlinear optical applications. J. Indian Chem. Soc. 99(5), 100397 (2022)
A.T. Ravichandran, R. Rathika, M. Kumaresavanji, Growth and Z-scan analysis of semi-organic Bis (picolinic acetate) Zinc (II) single crystal for third order NLO applications. J. Mol. Struct. 1224, 129048 (2021)
S. Sathiya, M. Senthilkumar, Study on the synthesis, structural, spectroscopic, thermal, DFT and NLO property of ethyl 4-hydroxy-2-Oxo-6-(Thiophen-3-yl)-4-(Trifluoromethyl) hexahydropyrimidine-5-carboxylate (EHTHPC). J. Mol. Struct. 1203, 127213 (2020)
Funding
The authors have no known financial support.
Author information
Authors and Affiliations
Contributions
The three named authors contributed to study the conception and design. Material preparation, data collection, analysis and manuscript written were performed by these authors and approved the final manuscript.
Corresponding author
Ethics declarations
Conflict of interest
The authors declare that they have no known competing financial interests or personal relationship that could have appeared to influence the work reported in this paper.
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
About this article
Cite this article
Bindulekha, S.R., Jeslin Sunitha Bai, S. & Sindhusha, S. Reverse saturable absorption induced third order nonlinear optical activity of creatinium 4-methylbenzene sulfonate single crystal. J Mater Sci: Mater Electron 34, 1063 (2023). https://doi.org/10.1007/s10854-023-10466-y
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s10854-023-10466-y