Abstract
The semi-organic nonlinear optical materials, L-histidinium trichloroacetate (LHTCA) single crystals are prepared by using solvent evaporation method. The prepared LHTCA crystal structures were analysed by X-ray examination. The UV–visible optical transparency of the grown crystal was accessed in the range of 200–1200 nm and it shows the LHTCA has high optical transparency in the UV region. From the Kurtz and Perry powder SHG method shows the NLO assets of the crystal, also laser damage threshold studies are analysed, and the grown crystals show the suitability for NLO applications. The quantum chemical computations have been carried out through DFT. It recognizes the geometrical and electronic structural properties, such as FMO, MEP and hyperpolarizability of the crystal and it suggests various intermolecular interactions especially hydrogen bonding. The various functional groups were analysed using FTIR and Raman spectra and the vibrational frequencies from experimental and theoretical values were evaluated. From the above analyses, the solution grown LHTCA crystal is suitable for NLO applications.
Similar content being viewed by others
References
Prasad P N and Williams D J 1991 Introduction to nonlinear optical effects in organic molecules and polymers (New York: Wiley Interscience)
Hahn R A and Bloor D (eds) 1989 Organic materials for nonlinear optics Special Publications No. 69 (London: The Royal Society of Chemistry)
Chemla D S and Zyss J (eds) 1987 Non-linear optical properties of organic molecules and crystals (New York: Academic Press)
Eimerl D 1987 Ferroelectrics 72 95
Priyadharshini A and Kalainathan S 2017 J. Mater. Sci. 28 7401
Priyadharshini A and Kalainathan S 2018 J. Phys. Chem. Solids 59 123
Jagannathan K, Umarani P, Ratchagar V, Ramesh V and Kalainathan S 2016 Spectrochim. Acta A 153 735
Balaji J, Prabu S and Srinivasan P 2016 J. Cryst. Growth 452 189
Agilandeshwari R, Meenatchi V and Meenakshisundaram S P 2016 J. Mol. Struct. 1118 356
Vasuki S, Karunakaran R T and Shanmugam G 2017 J. Mater. Sci. 28 12916
Naseema K, Vijayalakshmi Rao, Sujith K V and Balakrishna Kalluraya 2009 Pramana 73 719
Marchy H O, Rosker M J, Warren L F, Cunningham P H, Thomas C A, Deloach I A et al 1995 Opt. Lett. 20 252
Zhang H W, Batra A K and Lal R B 1994 J. Cryst. Growth 137 141
Frazier C C and Cockerham M P 1987 J. Opt. Soc. Am. B 4 1899
Bhat H L 1994 Bull. Mater. Sci. 17 1233
Prabu P, Vijayabhaskaran B, Vasuki G and Ramachandra Raja C 2018 Opt. Laser Tech. 98 12
Rajasekar G, Dhatchaiyini M K, Vinitha G and Bhaskaran A 2019 J. Mol. Struct. 1177 594
Wu K and Chen C 1996 J. Cryst. Growth 166 533
Li L, Wang Z, Song X and Sun S 2009 Spectrochim. Acta A 72 816
Cicili Ignatius I, Rajathi S, Kirubavathi K and Selvaraju K 2014 Optik 125 5144
Ilango E, Kothandaraman M and Chithambaram V 2018 J. Mater. Sci. 29 9083
Narayana Moolya B and Darmaprakash S M 2006 J. Cryst. Growth 293 86
Misoguti L, Varela A T, Nunes F D, Bagnato V S, Melo F E A, Mendes Filho J et al 1996 Opt. Mater. 6 147
Rodrigues J J, Misoguti Jr L, Nunes F D, Mendonça C R and Zilio S C 2003 Opt. Mater. 22 235
Rodrigues J J, Carlos Jr, Silva H T P, Zilio S C, Misoguti L and Mendonça C R 2002 Opt. Mater. 20 153
Fleck M, Ghazaryan V V and Petrosyan A M 2015 J. Mol. Struct. 1079 460
Shanthi D, Selvarajan P and Perumal S 2016 Optik 127 3192
Selvaraju K and Kirubavathi K 2013 Spectrochim. Acta A 115 537
Baskaran P, Vimalan M, Anandan P, Bakiyaraj G, Kirubavathi K and Selvaraju K 2017 J. Taibah Univ. Sci. 11 11
Monaco S B, Davis L E, Velsko S P, Wang F T, Eimerl D and Zalkin A 1987 J. Cryst. Growth 85 252
Madden J J, McGandy E L and Seeman N C 1972 Acta Crystallogr. B 28 2377
Krishna Mohan M, Ponnusamy S and Muthamizhchelvan C 2018 Appl. Surf. Sci. 449 92
Sahaya Jude Dhas S and Jerome Das S 2017 Arab. J. Chem. 10 s854
Reena Ittyachan and Sagayaraj P 2003 J. Cryst. Growth 249 557
Pandurangan Anandan and Ramasamy Jayavel 2011 J. Cryst. Growth 322 69
Rajyalakshmi S, Ramachandra Rao K, Brahmaji B, Samatha K, Visweswara Rao T K and Ramakrishna Y 2017 J. Mol. Struct. 1129 231
Yun Zhang, Hua Li, Bin Xi, Yunxia Che and Jimin Zheng 2008 Mater. Chem. Phys. 108 192
Anuradha G V 2015 Optik 126 4743
Martin Britto Dhas S A and Natarajan S 2008 Opt. Commun. 281 457
Nalini Jayanthi S and Bhuvaneswari N 2018 Mater. Today Pro. 5 3361
Madhavan J, Aruna S, Prabha K, Packium Juliusa Ginson J, Joseph P, Selvakumar S et al 2006 J. Cryst. Growth 293 409
Arul H, Rajan Babu D, Ezhil Vizhi R and Bhagavannarayana G 2015 J. Cryst. Growth 423 22
Madhavan J, Aruna S, Anuradha A, Premanand D, Vetha Potheher I, Thamizharasan K et al 2007 Opt. Mater. 29 1211
Vijayan N, Bhagavannarayana G, Nagarajan K and Upadhyaya V 2009 Mater. Chem. Phys. 115 656
Dhanjayan R, Gunasekaran S and Srinivasan S 2017 Mater. Lett. 206 221
Petrosyan H A, Karapetyan H A, Yu M, Antipin and Petrosyan A M 2005 J. Cryst. Growth 275 e1919
Gokul Raj S, Ramesh Kumar G, Mohan R, Jayavel R and Babu Varghese 2006 Acta Cryst. E 62 o1704
Gokul Raj S, Ramesh Kumar G, Thenneti Raghavalu, Kumar P, Mohan R and Jayavel R 2006 Spectrochim. Acta A 65 1021
Gokul Raj S, Ramesh Kumar G, Mohan R, Babu Varghese and Jayavel R 2006 J. Mol. Struct. 825 158
Calaminici P, Jug K and Köster A M 1998 J. Chem. Phys. 109 7756
Amrita Sarkar, Mousumi Das and Sanjib Bagchi 2015 J. Mol. Struct. 1102 11
Penn D R 1962 Phys. Rev. 128 2093
Ravindra N M, Bhardwaj R P, Sunil Kumar K and Srivastava V K 1981 J. Infrared Phys. 21 369
Ravindra N M and Srivastava V K 1980 J. Infrared Phys. 20 67
Sajad Ahmad, Mudasir Ashraf, Aijaz Ahmad and Singh D V 2013 Arab. J. Sci. Eng. 38 1889
Vasudevan P, Sankar S and Gokul Raj S 2013 Optik 124 4155
Pravavathi N, Jayanthi L, Sivasubramani V, Senthil Pandian M and Ramasamy P 2017 Mater. Res. Innov. 21 189
Ashour A, El-Kadry N and Mahmoud S A 1995 Thin Solid Films 269 117
Urbach F 1953 Phys. Rev. 92 1324
Kurtz S K and Perry T T 1968 J. Appl. Phys. 39 3798
Boling N L, Crisp M D and Dubé G 1973 Appl. Opt. 12 650
Wooster W A 1953 Rep. Progr. Phys. 16 62
Gayathri K, Krishnan P, Rajkumar P R and Anbalagana G 2014 Bull. Mater. Sci. 37 1589
Lee C, Yang W and Parr R G 1988 Phys. Rev. B 37 785
Ingamells V E, Papadopoulos M G, Handy N C and Willetts A 1988 J. Chem. Phys. 109 1845
Shkir M, Omar S, Arora M, Al Faify S, Jain V and Ganesh V 2017 Optik 136 327
Kleinman D 1962 Phys. Rev. 126 1977
Shkir M, Muhammad S, Al Faify S, Irfan A and Yahia I 2015 Spectrochim. Acta A 137 432
Pearson R 2005 J. Chem. Sci. 117 369
Fleming I 1976 Frontier orbitals and organic chemical reactions (London: Wiley)
O’Boyle N M, Tenderholt A L and Langer K M 2008 J. Comput. Chem. 29 839
Muthu S and Paulraj E I 2013 J. Mol. Struct. 1038 145
Karuppasamy P, Kamalesh T, Mohankumar V, Abdul Kalam S, Muthu Senthil Pandian, Ramasamy P et al 2019 J. Mol. Struct. 1176 254
Coulthup N B, Daly L H and Wiberley S B 1964 Introduction to infrared and Raman spectroscopy (New York: Academic Press)
Nakamoto K 1963 Infrared and Raman spectra of inorganic and coordinated compounds 3rd edn (New York: John Wiley & Sons, A Wiley-Interscience publication)
Author information
Authors and Affiliations
Corresponding author
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
Nalini, H., Thairiyaraja, M., Arunagiri, C. et al. Crystal growth, structural, nonlinear, optical and theoretical investigations of L-histidinium trichloroacetate single crystals. Bull Mater Sci 44, 35 (2021). https://doi.org/10.1007/s12034-020-02319-9
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s12034-020-02319-9