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Item BaCu(C2O4)2 · 6 H2O is triclinic, P1, with a = 6.5405(9), b = 9.202(3), c= 10.939(1) Å, ? = 8546(2), ? = 79.22(1), ? = 80.45(2), V = 636.99(1) Å3, Z=2, D0, = 2.14, Dc = 2.465 g · cm-3, R = 0.074. wR = 0.0746 for 2219 significant reflections |F0| = 6.0?F0. The barium has eleven coordinations and the coordination polyhedra is a capped antiprism. Six water oxygen atoms are coordinated whereas the other five are coming from the oxalate group. In the unit cell the molecules form a polymeric network. One lattice water molecule belongs to the coordinating water. The barium oxygen distances vary from 2.75 Å to 3.15 Å.(Wiley-VCH Verlag, The crystal structure of hydrated barium copper oxalate) Kasthuri, V.B.; Rao, P.M.; Nethaji, M.1996Item Third-order optical nonlinear studies of Cobalt (II) Schiff base complex bearing triphenylphosphine using Differential Optical Kerr Gate and Z-scan studies(2010) Rudresha, B.J.; Badekai Ramachandra, B.; Ramakrishna, D.; Anthony, J.K.; Rotermund, F.The third-order optical nonlinearity of the composite film of coordination complex [CoLPPh3Cl] (L = N-(2-pyridyl)-N?-(salicylidene)hydrazine) and PMMA has been investigated by using Differential Optical Kerr Gate (DOKG) and Z-scan measurements. Large value of the third-order nonlinear optical susceptibility (?(3)) of the order of 10-10 esu was measured and its nonlinear response time was found to be faster than or comparable to the laser pulse width (90 fs) used. The single beam Z-scan technique was used to investigate the nonlinear absorption property of the composite near 800 nm. The sample exhibit saturable absorption. The nonlinear absorption coefficient of sample is found to be -32 cm/GW. © 2010 Elsevier B.V. All rights reserved.Item Nonlinear optical study of palladium Schiff base complex using femtosecond differential optical Kerr gate and Z-scan techniques(2012) Rudresha, B.J.; Badekai Ramachandra, B.R.; Ramakrishna, D.; Anthony, J.K.; Lee, H.W.; Rotermund, F.A femtosecond differential optical Kerr gate (DOKG) and Z-scan techniques, have been applied to investigate the third-order optical nonlinearity of composite film of the coordination complex [PdLPPh 3] (L=N-(2-pyridyl)-N'-(salicylidene)hydrazine, PPh 3=triphenylphosphine) . Film exhibits superior nonlinear optical properties in the near-infrared spectral region. The nonlinear response time and third-order nonlinear optical susceptibility of complex were found to be?90 fs and 3.9×10 -10 esu, respectively. The Z-scan result shows that saturable absorption property of the film and its nonlinear absorption coefficient of the sample was found to be -23 cm/GW. © 2011 Elsevier Ltd. All rights reserved.Item Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer(Elsevier B.V., 2021) Reddy, I.R.; Oppeneer, P.M.; Tarafder, K.Hofmann-type organometallic frameworks are well known for their porous crystal structure, exhibiting interesting electronic, optical, and magnetic properties, and are therefore considered as promising materials for various technological applications. Here, using density functional theory+U (DFT+U) calculations, we investigate the spin-state transition in a newly synthesized Hofmann clathrate, namely the Fe{OS(CH3)2}2{Ag(CN)2}2 complex, by applying hydrostatic pressure as an external perturbation. Our study reveals that under a relatively low isotropic hydrostatic pressure, the complex exhibits a reversible spin switching, whereas it undergoes a structural phase transition when the pressure is larger and anisotropic. The spin state of the Fe atom in the Hofmann clathrate complex transforms from high spin to intermediate spin state under anisotropic compression of the lattice parameters. The coordination polymer complex remains a magnetic semiconductor after the pressure-driven structural transformation. © 2020 Elsevier B.V.