Contents lists available at ScienceDirect Optical Materials journal homepage: www.elsevier.com/locate/optmat Crystal structure, Hirshfeld and third-order nonlinear optical properties of 3- (4-dimethylamino)phenyl)-1-(4-methoxyphenyl)prop-2-en-1-one: A potential material for optical limiting applications T. Chandra Shekhara Shetty a,∗ , S. Raghavendra b , C.S. Chidan Kumar c,∗∗ , S. Naveen d , Shivaraj R. Maidur e , Parutagouda Shankaragouda Patil e , Siddegowda Chandraju f , G.S. Ananthnag g , S.M. Dharmaprakash h a Department of Post Graduate Studies and Research in Physics, St Aloysius College (Autonomous), Mangaluru, 575003, India b Department of Engineering Physics, Adichunchanagiri Institute of Technology, Chikmagalore, 577102, India c Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahalli, Mysuru, 570028, Karnataka, India d Institution of Excellence, University of Mysore, Manasagangotri, Mysuru, 570 006, India e Department of Physics, K. L. E. Institute of Technology, Opposite Airport, Gokul, Hubballi, 580 030, India f Department of Sugar Technology and Chemistry, Sir M. Visvesvaraya PG Center, University of Mysore, Tubinakere, 571402, Karnataka, India g Department of Chemistry, BMS College of Engineering, 560019, Bengaluru, India h Department of Studies in Physics, Mangalore University, Mangalagangotri, 574199, India ARTICLE INFO Keywords: Chalcones Crystal structure Hirshfeld surface analysis Z-scan Optical limiting ABSTRACT A potential organic nonlinear optical (NLO) material 3-(4-dimethylamino)phenyl)1-(4-methoxyphenyl)prop-2- en-1-one (DMLNH 2 MC) with a molecular formula C 18 H 19 NO 2 has been synthesized and crystallized in ethanol solution. The crystals of DMLNH 2 M were characterized using NMR and FTIR spectroscopy techniques and the functional groups present in the molecule are identified. Thermo gravimetric analysis (TGA) and differential scanning calorimetry (DSC) studies established the thermal stability of DMLNH 2 MC crystal. The crystal is thermally stable up to 300 °C and melts at 129 °C. Single crystal X-ray diffraction data of DMLNH 2 MC confirms the monoclinic crystal structure with, P2 1 space group. The phase purity of the crystal was determined using powder X-ray diffraction method. Hirshfeld surface analysis of the molecule was performed to visualize the presence of CeH⋯O and CeH···π interactions. UV Visible spectral studies show that the material is transparent in the entire visible region with a band gap energy of 3.32 eV. Z-scan technique is used to determine the third-order NLO parameters and optical limiting (OL) using a Diode-Pumped Solid StateLaser operating at 532 nm wave- length. The results of optical limiting studies show that the material exhibits two photo assisted excited state absorption, leading to reverse saturable absorption (RSA). High melting point, thermal stability, transparency in the visible region of the electromagnetic spectrum, negative value of nonlinear refractive index n 2 (-1.79 × 10 -9 cm 2 W -1 ) leading to self defocusing effect and optical limiting threshold of 4.32 kJ/cm 2 of the material makes it a potential NLO material. 1. Introduction Theoretical and experimental aspects of third-order nonlinear op- tical response of wide range of organic materials with their nonlinear optical (NLO) applications were discussed in detail by J. L. Bredas and others [1]. These studies revealed the potential applications of organic materials in nonlinear optics. The selection and optimization of organic materials for nonlinear device applications require profound under- standing of nonlinear properties at the molecular level. The organic materials are of interest because of their low cost and the fact that they can be easily fabricated into devices. Their chemical structure can be fine tuned to obtain the required NLO properties. They also possess high laser damage thresholds, fast nonlinear optical response times, high nonlinear optical susceptibilities and low dielectric constants compared https://doi.org/10.1016/j.optmat.2018.10.007 Received 29 July 2018; Received in revised form 21 September 2018; Accepted 2 October 2018 ∗ Corresponding author. ∗∗ Corresponding author. E-mail address: tcsshetty@gmail.com (T. Chandra Shekhara Shetty). Optical Materials 86 (2018) 138–147 0925-3467/ © 2018 Elsevier B.V. All rights reserved. T