Crystal Structures of Homoleptic Propynyloargentates AI[Ag(C3H3)2] with AI = Ag, Li, Na Solved and Refined from X‐ray Powder Diffraction Data

Pak, Leo; Zibrowius, Bodo; Lumeij, Marck-Willem; Dronskowski, Richard; Ruschewitz, Uwe

doi:10.1002/zaac.201400420

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Cited by 3 publications

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Lattice Dynamics and Thermochemistry of Solid‐State Materials from First‐Principles Quantum‐Chemical Calculations

Stoffel

Dronskowski

2017

Handbook of Solid State Chemistry

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Within the last decade, the prediction of the thermodynamic properties of solid‐state materials based on first‐principles quantum‐chemical methods has matured to a degree that allows for quantitative applications in real‐world scenarios. The key ingredient for modeling the thermodynamic potentials and their temperature dependence is given by the accurate simulation of lattice dynamics as described by the phonon model. On the basis of the electronic as well as phononic energies (plus other energetic contributions, if needed), macroscopic thermodynamic potentials such as the Gibbs free energy are accessible via the quasi‐harmonic approximation for any given solid‐state material, at least in principle.

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Lattice Dynamics and Thermochemistry of Solid‐State Materials from First‐Principles Quantum‐Chemical Calculations

Stoffel

Dronskowski

2017

Handbook of Solid State Chemistry

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Crystal Structure of Cesium Phenylacetylide, CsC₂C₆H₅, Solved and Refined from Synchrotron Powder Diffraction Data

Grzesiak

Ruschewitz

2015

Zeitschrift anorg allge chemie

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Abstract. The crystal structure of cesium phenylacetylide, CsC 2 C 6 H 5 , was solved and refined from synchrotron powder diffraction data (Pbca, Z = 8). Each Cs + cation is coordinated by five ligands: four acetylide groups coordinate side-on and one end-on. A similar arrangement is found in the crystal structure of NaC 2 H (P4/nmm, Z = 2). There is a group-subgroup relationship between both structures. Most

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A straightforward synthetic route to symmetric bis(acetylide) metallates of the coinage metals

Seifert

Boukis

Feuerstein

et al. 2018

Journal of Organometallic Chemistry

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Crystal Structures of Homoleptic Propynyloargentates A^I[Ag(C₃H₃)₂] with A^I = Ag, Li, Na Solved and Refined from X‐ray Powder Diffraction Data

Cited by 3 publications

References 65 publications

Lattice Dynamics and Thermochemistry of Solid‐State Materials from First‐Principles Quantum‐Chemical Calculations

Lattice Dynamics and Thermochemistry of Solid‐State Materials from First‐Principles Quantum‐Chemical Calculations

Crystal Structure of Cesium Phenylacetylide, CsC₂C₆H₅, Solved and Refined from Synchrotron Powder Diffraction Data

A straightforward synthetic route to symmetric bis(acetylide) metallates of the coinage metals

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Crystal Structures of Homoleptic Propynyloargentates AI[Ag(C3H3)2] with AI = Ag, Li, Na Solved and Refined from X‐ray Powder Diffraction Data

Cited by 3 publications

References 65 publications

Lattice Dynamics and Thermochemistry of Solid‐State Materials from First‐Principles Quantum‐Chemical Calculations

Lattice Dynamics and Thermochemistry of Solid‐State Materials from First‐Principles Quantum‐Chemical Calculations

Crystal Structure of Cesium Phenylacetylide, CsC2C6H5, Solved and Refined from Synchrotron Powder Diffraction Data

A straightforward synthetic route to symmetric bis(acetylide) metallates of the coinage metals

Contact Info

Product

Resources

About

Crystal Structures of Homoleptic Propynyloargentates A^I[Ag(C₃H₃)₂] with A^I = Ag, Li, Na Solved and Refined from X‐ray Powder Diffraction Data

Crystal Structure of Cesium Phenylacetylide, CsC₂C₆H₅, Solved and Refined from Synchrotron Powder Diffraction Data