Joint Experimental and Computational Investigation of the Flexibility of a Diacetylene-Based Mixed-Linker MOF: Revealing the Existence of Two Low-Temperature Phase Transitions and the Presence of Colossal Positive and Giant Negative Thermal Expansions

Author:

Duarte Rodrigues Alysson1,Fahsi Karim1,Dumail Xavier1,Masquelez Nathalie2,van der Lee Arie2,Mallet-Ladeira Sonia3,Sibille Romain4,Filhol Jean-Sébastien5,Dutremez Sylvain G.1

Affiliation:

1. Institut Charles Gerhardt, UMR 5253 CNRS-ENSCM-UM, Equipe CMOS; Université de Montpellier, Bât. 17, CC 1701; Place Eugène Bataillon 34095 Montpellier Cedex 5 France

2. Institut Européen des Membranes, UMR 5635 CNRS-ENSCM-UM; Université de Montpellier, Case Courrier 047; Place Eugène Bataillon 34095 Montpellier Cedex 5 France

3. Institut de Chimie de Toulouse (FR 2599); Université Paul Sabatier; 118 route de Narbonne 31062 Toulouse Cedex 9 France

4. Laboratory for Neutron Scattering and Imaging; Paul Scherrer Institut; 5232 Villigen PSI Switzerland

5. Institut Charles Gerhardt, UMR 5253 CNRS-ENSCM-UM, Equipe CTMM; Université de Montpellier, Bât. 15, CC 1501; Place Eugène Bataillon 34095 Montpellier Cedex 5 France

Funder

French computational resource centers IDRIS and CINES

Publisher

Wiley

Subject

General Chemistry,Catalysis,Organic Chemistry

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