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High-Pressure Behavior of Lead Cyanamide PbNCN: High-Pressure Behavior of Lead Cyanamide PbNCN

Möller, Andreas ; Konze, Philipp M. ; Dronskowski, Richard

Zeitschrift für anorganische und allgemeine Chemie, 12/31/2018, Vol.644(24), pp.1881-1885 [Periódico revisado por pares]

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  • Título:
    High-Pressure Behavior of Lead Cyanamide PbNCN: High-Pressure Behavior of Lead Cyanamide PbNCN
  • Autor: Möller, Andreas ; Konze, Philipp M. ; Dronskowski, Richard
  • Assuntos: Diamond Anvil Cells ; Organic Chemistry ; Equations of State ; Chemical Bonds ; Diamonds ; Bulk Modulus ; Lead ; Cyanamide ; Lead ; Dft Calculation
  • É parte de: Zeitschrift für anorganische und allgemeine Chemie, 12/31/2018, Vol.644(24), pp.1881-1885
  • Descrição: The high‐pressure behavior of lead cyanamide, PbNCN, was studied using the diamond anvil cell technique and in situ X‐ray powder diffraction at room temperature. By employing a third‐order Birch–Murnaghan equation of state, a zero‐pressure bulk modulus of K0 = 19(2) GPa was determined, characterizing PbNCN as a very soft material. Additionally, the first linear compression moduli for the inorganic cyanamide were determined to be Ka0 = 145(7) GPa, Kb0 = 37.7(7) GPa, and Kc0 = 15.5(2) GPa. DFT total‐energy calculations targeting on the Pb2+ coordination indicate a transition from a typical compression behavior of a two‐dimensional layered structure to a more complex one, which was furthermore analyzed by chemical‐bonding analysis. Instead of a changing shape of the soft cyanamide unit, we observe an unexpected flattening of the corrugated double layers. Dedicated to Professor Wolfgang Bensch on the Occasion of his 65th Birthday
  • Idioma: Inglês

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