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Structural, spectral and nonlinear optical analysis of cytosinium dihydrogen phosphite crystal

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Abstract

Cytosinium dihydrogen phosphite (CDHP), a semiorganic crystal has been grown by slowly evaporating the solvent. It crystallizes in triclinic system with non-centrosymmetric space group P1. Optical transmittance study of CDHP shows its transmitting ability from 277 to 1100 nm. Fourier Transform Infrared and Raman spectral analysis establishes the vibrations of functional groups present in CDHP. Presence of H2PO3− ion’s characteristic vibrations ensures the formation of CDHP crystal. Nuclear Magnetic Resonance (NMR) spectral analysis elucidates the proton and carbon environment and the molecular structure of CDHP has been confirmed. Second harmonic generation (SHG) efficiency has been measured using Kurtz and Perry powder method. SHG efficiency of CDHP is 0.88 times that of KDP. Photoluminescence emission spectrum suggests suitability of CDHP crystal to design UV fluorescence detection, UV filter and optoelectronic devices. The third order nonlinear optical (NLO) parameters have been analysed by Z-scan technique which reveals the self-defocusing and saturable absorption nature of CDHP. The third order NLO susceptibility (χ3) is determined as 1.0633 \(\times\) 10–7 esu. Presence of N–H…O and O–H…O hydrogen bonds in CDHP crystal is the reason for this high χ3 value. The results reveals that the crystal can be used in laser Q-switching, optical sensors and optoelectronic applications. Thermal stability of CDHP is analysed by thermogravimetric and differential thermal analysis (TG/DTA).

Highlights

  • Single crystal of CDHP were grown from solution growth technique.

  • CDHP has high optical transmittance and can be used for optoelectronic and harmonic generation applications.

  • Vibrational analysis ensures the existence of H2PO3− anion.

  • Molecular structure of CDHP was confirmed by NMR analysis.

  • CDHP shows better SHG efficiency.

  • Z scan analysis reveals CDHP to be a perfect material for designing optical sensors.

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Acknowledgements

The authors thank Sophisticated Analytical Instrument Facility SAIF, Indian Institute of Technology, Chennai for providing single crystal XRD and FT-Raman, Instrumentation centre, St.Joseph’s college, Trichy for recording UV-Vis-NIR and FTIR spectra and Gandhigram Rural Institute (Deemed to be University) for recording NMR spectrum and TG-DTA analysis. The authors thank Alagappa university, Karikudi for PXRD and PL analysis The authors are grateful to B.S. Abdur Rahman Crescent Institute of Science and Technology, Chennai for providing SHG measurement. The authors also express their special gratitude to Dr. D. Sastikumar, NIT, Trichy for providing Z-scan testing facility.

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The authors declare that no funds, grants, or other support were received during the preparation of this manuscript.

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Authors and Affiliations

  1. Government Arts College (Autonomous), Kumbakonam, Tamilnadu, 612 002, India

    E. Muhildharani, K. Saranya & C. Ramachandra Raja

  2. Affiliated to Bharathidasan University, Tiruchirappalli, Tamilnadu, 620 024, India

    E. Muhildharani, K. Saranya & C. Ramachandra Raja

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All authors contributed to the literature survey, material preparation, characterization and interpretation. The first draft of the manuscript was well discussed by all and written by EM. All authors read and approved the final manuscript.

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Correspondence to C. Ramachandra Raja.

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Muhildharani, E., Saranya, K. & Raja, C.R. Structural, spectral and nonlinear optical analysis of cytosinium dihydrogen phosphite crystal. Appl. Phys. A 130, 253 (2024). https://doi.org/10.1007/s00339-024-07432-8

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