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Please use this identifier to cite or link to this item: http://hdl.handle.net/2289/7580
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dc.contributor.authorJohn, Jerin Susan-
dc.contributor.authorJoy, Nithin-
dc.contributor.authorPhilip, Reji-
dc.contributor.author+3 Co-Authors-
dc.date.accessioned2020-11-21T07:44:45Z-
dc.date.available2020-11-21T07:44:45Z-
dc.date.issued2020-12-
dc.identifier.citationOptical Materials, 2020, Vol.110, p110493en_US
dc.identifier.issn0925-3467-
dc.identifier.urihttp://hdl.handle.net/2289/7580-
dc.descriptionRestricted Accessen_US
dc.description.abstractSingle crystals of a novel organic nonlinear optical (NLO) material-guanidinium hippurate monohydrate (GuHM) -are grown using slow evaporation solution growth technique. GuHM is an anion-cation system to which water molecules are attached by hydrogen bonding. The lattice parameters and crystalline purity of the crystal have been measured using single-crystal and powder X-ray diffraction (XRD) methods. Quantum chemical calculations using density functional theory (DFT) have been employed to calculate the vibrational modes and the first and second hyperpolarizabilities. Thermogravimetric (TG) and differential thermal (DT) analyses were carried out to characterize the thermal behaviour of the grown crystals. The role of intramolecular charge transfer and hydrogen bonds in making the molecule NLO-active are interpreted on the basis of the hyperpolarizability values. Along with DFT calculations, the natural bond orbital (NBO), the Atoms In Molecules (AIM), and the Hirshfeld surface imply the presence of a strong intra- and intermolecular N-H….O and O-H….O hydrogen bonding interactions between the charged species of GUHM crystal. The third-order optical nonlinearity of the crystal was studied using open-aperture Z-scan technique. From the experimental and theoretical data, it is concluded that GuHM is a potential NLO material.en_US
dc.language.isoenen_US
dc.publisherElesvier B.V.en_US
dc.relation.urihttps://ui.adsabs.harvard.edu/abs/2020OptMa.11010493J/abstracten_US
dc.relation.urihttps://doi.org/10.1016/j.optmat.2020.110493en_US
dc.rights2020 Elsevier B.V.en_US
dc.subjectSingle crystal XRDen_US
dc.subjectZ-scanen_US
dc.subjectThird-order NLOen_US
dc.subjectVibrational spectraen_US
dc.titleSynthesis, growth and characterization of guanidinium hippurate monohydrate single crystals: A new third order nonlinear optical materialen_US
dc.typeArticleen_US
dc.additionalSupplementary Information Availableen_US
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