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Aguirrechu-Comeron, A., Rodriguez-Hernandez, P., Rodriguez-Mendoza, U. R., Vallcorba, O., Munoz, A., Perruchas, S. & Gonzalez-Platas, J. (2019) Equation of state and structural characterization of Cu4I4PPh2(CH2CH = CH2)(4) under pressure. High Pressure Research, 39 69–80. 
Added by: Richard Baschera (2019-03-26 10:55:33)   Last edited by: Richard Baschera (2019-03-26 11:04:19)
Type de référence: Article
DOI: 10.1080/08957959.2018.1563079
Clé BibTeX: AguirrechuComeron2019
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Créateurs: Aguirrechu-Comeron, Gonzalez-Platas, Munoz, Perruchas, Rodriguez-Hernandez, Rodriguez-Mendoza, Vallcorba
Collection: High Pressure Research
Consultations : 4/490
Indice de consultation : 5%
Indice de popularité : 1.25%
Combined high pressure single crystal X-ray diffraction experiments and ab initio simulations based on the density functional theory have been performed on a copper(I) iodide cluster formulated [Cu4I4{PPh2(CH2CH = CH2)}(4)] under high pressure up to 5 GPa. An exhaustive study of compressibility has been done by means of determination of isothermal equations of state and structural changes with pressure at 298 K taking advantage of the single crystal is more precise than powder X-ray diffraction for this type of experiments. It allows us to report the evidence of the existence of an isostructural phase transition of second order at 2.3 GPa not detected so far.
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