Synthesis, crystal growth, characterization and structure–NLO property relationship in 1,3-bis(4-methoxyphenyl)prop-2-en-1-one single crystal

Synthesis, Molecular Structure, Spectral, Thermal, and DFT Studies of an Organic Crystal: 1-(benzo[d][1,3]dioxol-5-yl)-3-phenylprop-2-en-1-One

“…1.363 (3) 1.396 C (6) 119.5 114.08 C(9)-C(4)-C (5) 118.34 (14) 117.99 C(9)-C(4)-C (3) 122.44 (14) 125.08 (Continued on next page) Downloaded by [University of Nebraska, Lincoln] at 03:45 14 April 2015 (14) 116.02 C(13)-O(3)-C (14) 105.79 (13) 105.98 C(2)-C(3)-C (4) 127.64 (15) 119.97 (17) 120.87 C(7)-C(6)-H(6) 120 119.87 C(5)-C(6)-H(6) 120 119.24 C(6)-C(7)-C (8) 119.94 (16) 119.60 C(6)-C(7)-H (7) 120 120.24 C(8)-C(7)-H (7) 120 120.14 C(7)-C(8)-C (9) 120.27 (17) 119.75 C(7)-C(8)-H (8) 119.9 120.31 C(9)-C(8)-H (8) 119.9 119.92 C(8)-C(9)-C(4) 120.33 (16) 121.46 C(8)-C(9)-H (9) 119.8 119.44 C(4)-C(9)-H (9) 119.8 119.08 C(11)-C(10)-C (16) 119.67 (13) 120.04 C(11)-C(10)-C (1) 122.99 (13) 123.34 C(16)-C(10)-C (1) 117.34 (13) 116.56 C(10)-C(11)-C (12) 121.67 (14) 121.89 C(10)-C(11)-H (11) 119. environment using TD-DFT method and the calculated absorption peak, excitation energy, and oscillator strengths of BDP are listed in Table 4.…”

“…Heterocyclic analogs of chalcons exhibit anti-inflammatory, antitumour [4][5][6], antibacterial, antifungal [7], antitubercular, antiviral, antiprotozal, and gastroprotective activities. In addition, with appropriate substituents, chalcones are a class of nonlinear optical materials [8][9][10][11][12][13][14][15][16][17]. Among the many known organic nonlinear optical materials, chalcones exhibit extremely high and fast nonlinearity [18][19][20][21] and its derivatives have excellent blue light transmittance and good crystallizability [22,23].…”

Synthesis, crystal growth and characterization of a D-π-A type novel organic nonlinear optical single crystal

“…In order to obtain FTIR spectrum, the sample was prepared by mixing the compound with KBr pellets. The spectrum was recorded between 500 and 3500 cm -1 using a Thermo Nicolet, Avatar 370 FT-IR spectrometer 6 equipped with KBr beam splitter and a DTGS detector, with a spectral resolution of 4cm -1 . The…”

“…The extent of charge transfer across the molecule can be increased by placing a strong electron donor and acceptor groups at the ends of the highly polarizable conjugated bridge. For efficient second harmonic generation, one requires a highly hyperpolarizable molecule with zig-zag head to tail parallel alignment connected through strong hydrogen bond interactions, crystallizing in noncentrosymmetric structures [6].…”

Growth, optical, thermal and dielectric studies of new organic nonlinear optical crystal (R)-2-cyano-N-(1-phenylethyl)acetamide

“…The organic materials having high second order hyperpolarizability (β) exhibit large NLO properties. In general, organic molecules are potentially versatile and more attractive than inorganic materials because of their large β values, fast response time, high resistance to the optical damage and various possibilities of designing molecules which are suitable for SHG [3][4][5]. This paper deals with the growth of new nonlinear optical crystal RCNPA.…”