Theoretical modeling, surface morphology, spectroscopic characterization, and laser-induced nonlinear optical evaluation of KMnO₄-coordinated L-arginine crystalline complexes
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Nonlinear Optical Materials Studies · Nonlinear Optical Materials Research · Crystal Structures and Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (86)
Show source-provided references
1. S. Vijayakumar, K. Ramachandran, Mater. Sci. Semicond. Process. 42, 101–107 (2016)
2. G. Rajkumar, S. Shankar, J. Cryst. Growth. 393, 57–64 (2014)
3. R. Ramesh Babu, R.M. Kumar, Opt. Mater. 35(10), 1919–1925 (2013)
4. S. Kannan, S. Arumugam, Optik. 126(17), 1953–1958 (2015)
5. R.S. Kumar, S. Subashini, J. Alloys Compd. 698, 726–732 (2017)10.1016/j.jallcom.2016.06.124 ↗
6. M.-L. Tseng, A. Adesiyan, A. Gassoumi, N.E. Gorji, A molecular dynamics study of water confined between two graphene sheets under compression. J. Nanopart. Res. 25, 51 (2023). https://doi.org/10.1007/s11051-023-05698-210.1007/s11051-023-05698-2 ↗
7. Y. Zhang, X. Xu, Machine learning band gaps of doped-TiO₂ photocatalysts from structural and morphological parameters. ACS Omega. 5, 15344–15352 (2020). https://doi.org/10.1021/acsomega.0c0143810.1021/acsomega.0c01438 ↗
8. Y. Zhang, X. Xu, Machine learning optical band gaps of doped-ZnO films. Optik 217, 164808 (2020). https://doi.org/10.1016/j.ijleo.2020.16480810.1016/j.ijleo.2020.164808 ↗
9. B. Narayana, B.N. Ananda, K.R. Sridhar et al., Spectrochim Acta Part. Mol. Biomol. Spectrosc. 118, 270–274 (2014)
10. S. Natarajan, M.N. Ponnuswamy, J. Cryst. Growth. 234(3), 431–438 (2002)
11. P. Ramasamy, S.P. Meenakshisundaram, C.K. Mahadevan, Mater. Chem. Phys. 68(1–3), 52–56 (2001)
12. J.P. Perdew, A. Zunger, Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B. 23, 5048–5079 (1981). https://doi.org/10.1103/PhysRevB.23.504810.1103/PhysRevB.23.5048 ↗
13. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996). https://doi.org/10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
14. M.J. Frisch et al., Gaussian 16, Revision C.01, Gaussian Inc., Wallingford CT (2016)
15. E.F. Dolzhenkova, V.G. Puchkov, A.V. Malakhov et al., J. Cryst. Growth. 451, 11–16 (2016). https://doi.org/10.1016/j.jcrysgro.2016.07.04010.1016/j.jcrysgro.2016.07.040 ↗
16. P. Ramasamy, M.S. Pandian, P. Karuppasamy, S.K. Das, J. Cryst. Growth. 375, 21–25 (2013). https://doi.org/10.1016/j.jcrysgro.2013.05.00110.1016/j.jcrysgro.2013.05.001 ↗
17. M.S. Pandian, P. Ramasamy, S. Babu, K. Sethuraman, J. Mol. Struct. 1059, 183–190 (2014). https://doi.org/10.1016/j.molstruc.2013.12.06410.1016/j.molstruc.2013.12.064 ↗
18. A. Lakshmi, R. Mohan Kumar, D. Jayaraman, J. Mol. Struct. 1075, 486–492 (2014). https://doi.org/10.1016/j.molstruc.2014.06.05810.1016/j.molstruc.2014.06.058 ↗
19. C. Sun, D. Xue, Phys. Chem. Chem. Phys. 19, 12407–12413 (2017). https://doi.org/10.1039/C7CP01112A10.1039/C7CP01112A ↗
20. P. Long, C. Hu, X. Liu, J. Mao, Bulk crystal growth and optical properties of a novel organic–inorganic hybrid nonlinear optical thiocyanate: [Mn(CH₃CONH₂)₂][Hg(SCN)₄]. Inorg. Chem. Front. 12, 4306–4311 (2025). https://doi.org/10.1039/D5QI00371G10.1039/D5QI00371G ↗
21. A.H. Arkenbout, organic–inorganic hybrids: A route towards soluble magnetic electronics, Ph.D., Thesis, University of Groningen (2010)
22. T. Basu, C. Bloyet, F. Beaubras, V. Caignaert, O. Perez, J.-M. Rueff, A. Pautrat, B. Raveau, J.-F. Lohier, P.-A. Jaffrès, H. Couthon, G. Rogez, G. Taupier, H. Dorkenoo, Adv. Funct. Mater. 29, 1901878 (2019)10.1002/adfm.201901878 ↗
23. N. Vijayan, D. Rajan Babu, G. Bhagavannarayana, Growth and characterization of L-arginine phosphate monohydrate: a potential NLO material. J. Cryst. Growth 310(5), 1184–1191 (2008)
24. M.S. Subashini, S.P. Meenakshisundaram, Growth, optical, thermal, and nonlinear optical properties of manganese-doped L-arginine acetate single crystal. Optik 182, 1027–1033 (2019)
25. Y. Yan, J. Appl. Cryst. 57, 1001–1008 (2024). https://doi.org/10.1107/S160057672400123410.1107/S1600576724001234 ↗
26. A. Rai, T. Singh, Mater. Today Proc. 45, 1205–1212 (2023). https://doi.org/10.1016/j.matpr.2020.11.13410.1016/j.matpr.2020.11.134 ↗
27. D. Balzar, X-ray diffraction line profile analysis. Int. Mater. Rev. 38, 29–50 (1993). https://doi.org/10.1179/imr.1993.38.4.26510.1179/imr.1993.38.4.265 ↗
28. T. Sarkar, P. Mukherjee, P. Barat, J. Appl. Cryst. 40, 802–806 (2007). https://doi.org/10.1107/S002188980702216710.1107/S0021889807022167 ↗
29. P. Siva Bala. Subramanian, S. Sankar, Growth and optical characterization of L-arginine acetate: a positive uniaxial birefringent NLO crystal. Optik 124(19), 4130–4133 (2013)
30. H. Ali, H. El-Zahed, A. Azzam, Urbach energy and optical band gap analysis in amino acid crystals using UV–Vis spectroscopy. Spectrochim. Acta Mol. Biomol. Spectrosc. 226, 117612 (2020)
31. T. Verbiest, K. Clays, V. Rodriguez, Second-Order Nonlinear Optical Characterization Techniques: an Introduction (CRC, Boca Raton, 2009)10.1201/9781420070736 ↗
32. I. Asselberghs, K. Clays, A. Persoons, Molecular engineering of nonlinear optical materials. Acc. Chem. Res. 33, 257–265 (2000)
33. C.K. Jørgensen, Absorption Spectra and Chemical Bonding in Complexes (Pergamon Press, 1962)10.1016/B978-0-08-009627-8.50016-X ↗
34. Y. Sharma, D. Joseph, Measurement of third-order nonlinear optical susceptibility of L-arginine acetate single crystal by Z-scan technique. Opt. Mater. 47, 319–324 (2015)
35. M. Anis, S.S. Hussaini, M.D. Shirsat, G.G. Muley, Investigation on nonlinear optical and dielectric properties of L-arginine doped ZTC crystal to explore photonic device applications. Materials Science-Poland 34, 548–554 (2016). https://doi.org/10.1515/msp-2016-007010.1515/msp-2016-0070 ↗
36. M.C. Etter, J.C. MacDonald, J. Bernstein, Acta Crystallogr. B 46(2), 256–262 (1990)10.1107/S0108768189012929 ↗
37. K.D. Parikh, B. Parekh, D. Dave, M. Joshi, J. Crystalliz Process. Technol. 3, 92–96 (2013). https://doi.org/10.4236/jcpt.2013.3301510.4236/jcpt.2013.33015 ↗
38. A.S. Hassanien, A.A. Akl, Influence of composition on optical and dispersion parameters of thermally evaporated amorphous Cd₅₀S₅₀₋ₓSeₓ thin films. Superlattices Microstruct. 89, 153–169 (2016). https://doi.org/10.1016/j.spmi.2015.10.04410.1016/j.spmi.2015.10.044 ↗
39. E.F. Dolzhenkova, E.I. Kostenyukova, O.N. Bezkrovnaya, I.M. Pritula, Bull. Mater. Sci. 30, 105–112 (2007). https://doi.org/10.1007/s12034-007-0019-410.1007/s12034-007-0019-4 ↗
40. S. Maity, A. Ghosh, P.R. Chaudhuri, Third-order nonlinear optical properties of amino acid-based crystals studied by Z-scan. J. Appl. Phys. 115, 123109 (2014). https://doi.org/10.1063/1.487430610.1063/1.4874306 ↗
41. D. Balakrishnan, K. Ramamurthi, S. Acta, A. Mol, Biomol. Spectrosc. 72, 269–273 (2009). https://doi.org/10.1016/j.saa.2008.09.03010.1016/j.saa.2008.09.030 ↗
42. E.I. Kostenyukova, O.N. Bezkrovnaya, V.I. Puzikov, Effect of L-arginine doping on strength and laser damage behavior of KDP single crystals. J. Cryst. Growth. 459, 123–128 (2017). https://doi.org/10.1016/j.jcrysgro.2016.11.01210.1016/j.jcrysgro.2016.11.012 ↗
43. S.K. Kushwaha, M. Shakir, K.K. Maurya, A.L. Shah, M.A. Wahab, G. Bhagavannarayana, Sci. Rep. 4, 7596 (2014). https://doi.org/10.1038/srep0759610.1038/srep07596 ↗
44. P. Prasada Rao, D.S. Paik, S. Komarneni, Enhanced second harmonic generation and laser damage resistance in L-arginine doped KDP crystals. J. Cryst. Growth. 211, 172–177 (2000). https://doi.org/10.1016/S0022-0248(00)00519-510.1016/S0022-0248(00)00519-5 ↗
45. R. Ramesh, A. Babu, S. Kumar, M. Swaminathan, Mater. Res. Bull. 42, 811–820 (2007). https://doi.org/10.1016/j.materresbull.2006.07.00510.1016/j.materresbull.2006.07.005 ↗
46. M. Sheik-Bahae, A.A. Said, T.H. Wei, D.J. Hagan, E.W. Van Stryland, Sensitive measurement of optical nonlinearities using a single beam. IEEE J. Quantum Electron. 26(4), 760–769 (1990). https://doi.org/10.1109/3.5339410.1109/3.53394 ↗
47. P.M. Anees, C.R. Rajamathi, R. Jayavel, Third-order nonlinear optical behaviour and dielectric properties of L-valine doped ammonium dihydrogen phosphate single crystals. Spectrochim Acta Mol. Biomol. Spectrosc. 135, 1201–1208 (2015). https://doi.org/10.1016/j.saa.2014.12.09110.1016/j.saa.2014.12.091 ↗
48. Q. Wang, J. Song, S. Li, Y. Cao, L. Zhang, Y. Zhao, Ultrafast carrier dynamics in two-dimensional hybrid perovskites studied by femtosecond transient absorption spectroscopy. Phys. Rev. Lett. 129, 177401 (2022). https://doi.org/10.1103/PhysRevLett.129.17740110.1103/PhysRevLett.129.177401 ↗
49. G. Xing, N. Mathews, S.S. Lim, N. Yantara, X. Liu, D. Sabba, M. Grätzel, S. Mhaisalkar, T.C. Sum, Low-temperature solution-processed wavelength-tunable perovskites for lasing. Nat. Mater. 13, 476–480 (2014). https://doi.org/10.1038/nmat391110.1038/nmat3911 ↗
50. J. Yang, X. Wen, H. Xia, S. Sheng, T. Shi, W. Li, Ultrafast carrier relaxation dynamics in halide perovskite single crystals revealed by femtosecond pump–probe spectroscopy. J. Phys. Chem. Lett. 8, 4720–4726 (2017). https://doi.org/10.1021/acs.jpclett.7b0195810.1021/acs.jpclett.7b01958 ↗
51. C. Manzoni, G. Cerullo, Design criteria for ultrafast optical parametric amplifiers. Laser Photonics Rev. 9, 129–171 (2015). https://doi.org/10.1002/lpor.20140014610.1002/lpor.201400146 ↗
52. T.C. Sum, N. Mathews, Exciton dynamics in organometal halide perovskites: from ultrafast studies to photovoltaics. Acc. Chem. Res. 47, 341–350 (2014). https://doi.org/10.1021/ar400899p10.1021/ar400899p ↗
53. Y. Yang, S. Ostrowski, J. France, J. Zhu, R.P. Prasankumar, Probing ultrafast carrier dynamics in semiconductors using pump–probe spectroscopy. Appl. Sci. 11, 1562 (2021). https://doi.org/10.3390/app1104156210.3390/app11041562 ↗
54. J.-S. Zhou, J.B. Goodenough, Relationship between bond-length distortion and electronic structure in octahedral Mn–O systems. Phys. Rev. B. 60, 15002–15009 (1999). https://doi.org/10.1103/PhysRevB.60.1500210.1103/PhysRevB.60.15002 ↗
55. O.C. Gagné, F.C. Hawthorne, Acta Cryst. B 73, 1016–1037 (2017). https://doi.org/10.1107/S205252061701395510.1107/S2052520617013955 ↗
56. M. Kaupp, M. Buhl, V.G. Malkin (eds.), Calculation of NMR and EPR Parameters: Theory and Applications, Wiley-VCH (2004)10.1002/3527601678 ↗
57. V.D. Gupta, R.A. Yadav, A.K. Srivastava, P.C. Mishra, J. Mol. Struct. 1128, 221–229 (2017). https://doi.org/10.1016/j.molstruc.2016.08.05610.1016/j.molstruc.2016.08.056 ↗
58. A.P. Scott, L. Radom, Harmonic vibrational frequencies: an evaluation of Hartree–Fock, Møller–Plesset, quadratic configuration interaction, density functional theory, and semiempirical methods. J. Phys. Chem. 100(41), 16502–16513 (1996). https://doi.org/10.1021/jp960976r10.1021/jp960976r ↗
59. R.M. Silverstein, F.X. Webster, D.J. Kiemle, Spectrometric Identification of Organic Compounds, 7th ed. (John Wiley & Sons, 2005).
60. C. Gonzalez, H.B. Schlegel, Reaction path following in mass-weighted internal coordinates. J. Phys. Chem. 94(14), 5523–5527 (1990)10.1021/j100377a021 ↗
61. K. Nakamoto, Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part A: Theory and Applications in Inorganic Chemistry (6th ed.), John Wiley & Sons (2009)10.1002/9780470405840 ↗
62. M.J. Khusroo, K. Suresh, K. Rajasekaran, Effect of metal-ion doping on the structural and nonlinear optical properties of amino acid crystals. J. Mol. Struct. 1074, 618–626 (2014)
63. R.K. Harris, E.D. Becker, S.M.C. de Menezes, P. Granger, R.E. Hoffman, K.W. Zilm, Further conventions for NMR shielding and chemical shifts (IUPAC recommendations 2008). Pure Appl. Chem. 80, 59–84 (2008). https://doi.org/10.1351/pac20088001005910.1351/pac200880010059 ↗
64. P.E. Hansen, Isotope effects on chemical shifts of biologically important nuclei. Prog Nucl. Magn. Reson. Spectrosc. 49, 1–69 (2006). https://doi.org/10.1016/j.pnmrs.2006.03.00110.1016/j.pnmrs.2006.03.001 ↗
65. A. Kumar, D.K. Dwivedi, Spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and quantum chemical studies of amino acid crystals., J. Mol. Struct. 1175, 737–747 (2019). https://doi.org/10.1016/j.molstruc.2018.07.09510.1016/j.molstruc.2018.07.095 ↗
66. S. Chinnathambi, M. Rajarajan, Spectrochim Acta Mol. Biomol. Spectrosc. 221, 117123 (2019)
67. M.L. Laurya, M.J. Carlson, A.K. Wilson, Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets. J. Comput. Chem. 33, 2380–2387 (2012). https://doi.org/10.1002/jcc.2319810.1002/jcc.23198 ↗
68. S. Khandekar, S.K. Gupta, D. Kumar, A. Mishra, S. Sharma, M. Bhatnagar, Spectroscopic, morphological, and nonlinear optical investigation of L-alanine-based bio-crystals for photonic applications. Nanoscale Res. Lett. 18, 256 (2023). https://doi.org/10.1007/s11051-023-05698-210.1007/s11051-023-05698-2 ↗
69. K. Ramesh, E. Ramachandran, S. Natarajan, Optical absorption and nonlinear optical properties of L-arginine potassium permanganate single crystals: growth, characterization and charge-transfer mechanism. Optik. 225, 165738 (2021). https://doi.org/10.1016/j.ijleo.2020.16573810.1016/j.ijleo.2020.165738 ↗
70. R.G. Parr, R.A. Donnelly, M. Levy, W.E. Palke, J. Chem. Phys. 68, 3801–3807 (1978). https://doi.org/10.1063/1.43618510.1063/1.436185 ↗
71. K. Ramya, C.R. Raja, Studies on the growth and characterization of L-arginine maleate dihydrate crystal grown from liquid diffusion technique. J. Min. Mater. Charact. Eng. 4, 143–153 (2016). https://doi.org/10.4236/jmmce.2016.4201410.4236/jmmce.2016.42014 ↗
72. R.G. Parr, L.V. Szentpály, S. Liu, J. Am. Chem. Soc. 121, 1922–1924 (1999). https://doi.org/10.1021/ja983494x10.1021/ja983494x ↗
73. F. Jensen, Introduction To Computational Chemistry, 2nd edn. (Wiley, Chichester, 2007). https://doi.org/10.1002/978047002730310.1002/9780470027303 ↗
74. L. Yang, R.G. Parr, Proc. Natl. Acad. Sci. U.S.A. 82, 6723–6726 (1985). https://doi.org/10.1073/pnas.82.20.672310.1073/pnas.82.20.6723 ↗
75. V.D. Gupta, R.A. Yadav, A.K. Srivastava, P.C. Mishra, J. Mol. Struct. 1128, 221–229 (2017). https://doi.org/10.1016/j.molstruc.2016.09.08110.1016/j.molstruc.2016.09.081 ↗
76. A. Kumar, D.K. Dwivedi, J. Mol. Struct. 1175, 737–747 (2019). https://doi.org/10.1016/j.molstruc.2018.07.09510.1016/j.molstruc.2018.07.095 ↗
77. J. Zyss, I. Ledoux, Nonlinear optics in multipolar media: theory and experiments. Chem. Rev. 94, 77–105 (1994)10.1021/cr00025a003 ↗
78. G. Maroulis, Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules and Clusters (IOS, Amsterdam, 2006)
79. A.D. Buckingham, Permanent and induced molecular moments and long-range intermolecular forces. Adv. Chem. Phys. 12, 107–142 (1967)
80. M.G. Papadopoulos, J. Leszczynski, A.J. Sadlej (eds.), Non-Linear Optical Properties of Matter: from Molecules To Condensed Phases (Springer, Dordrecht, 2006)
81. G.S. He, L.S. Tan, Q. Zheng, P.N. Prasad, Multiphoton absorbing materials: molecular designs, characterizations, and applications. Chem. Rev. 108, 1245–1330 (2008)10.1021/cr050054x ↗
82. P. Politzer, J.S. Murray, The fundamental nature and role of the electrostatic potential in chemistry. Theor. Chem. Acc. 108(3), 134–142 (2002)10.1007/s00214-002-0363-9 ↗
83. S.R. Gadre, R.N. Shirsat, Electrostatics of Atoms and Molecules, Universities Press (2000)
84. F. Weinhold, C.R. Landis, Valency and Bonding: A Natural Bond Orbital Donor–Acceptor Perspective (Cambridge University Press, Cambridge, 2005)
85. I.N. Levine, Quantum Chemistry, 7th edn. (Pearson, Boston, 2014)
86. J. Leszczynski, M.K. Shukla, Practical Aspects of Computational Chemistry I: an Overview of the Last Two Decades and Current Trends (Springer, Dordrecht, 2012)10.1007/978-94-007-0919-5 ↗