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Molecular shape tuning with pressure in a system coupled to a continuous phase transition: a neutron diffraction study

AutorFalvello, Larry R.; Henning, Robert W.; Schultz, Arthur J.; Tomás, Milagros
Fecha de publicación2015
CitaciónSNS/HFIR User Meeting (2015)
ResumenThe transition-metal complex trans-[Ni(cyan-κN)2(NH3)4] (cyan = cyanurate-N) forms molecular crystals that undergo a continuous, or second-order, phase transition to permit continuous variation of the molecular shape. In a first report on this system the phase transformation and accompanying molecular distortion were characterized as a function of temperature only. It was found that from the zero point of the transformation, at just above room temperature, to the lowest temperature studied, 13 K, the square of any of three distortion parameters varied linearly as a function of temperature, as expected for a continuous phase transition. In the present study, pressure was added as a parameter and structure analyses were performed at T = 223 K, p = 2 kbar and at T = 20 K, p = 2 kbar. At T = 223 K the effect of increasing the pressure is greater than that at T = 20 K. It was further observed that the application of pressure at T = 20 K yielded a larger distortion than that predicted for T = 0 by the temperature-only study at ambient pressure. The implications of these results are discussed.
DescripciónResumen del trabajo presentado al Spallation Neutron Source (SNS) and High Flux Isotope Reactor (HFIR) Annual User Meeting celebrado en el Oak Ridge National Laboratory (US) del 26 al 27 de octubre de 2015.
URIhttp://hdl.handle.net/10261/155986
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