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Title: Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates

Abstract

A combined theoretical–experimental approach has been exploited for the design of a zirconium bithiazole-based MOF for CO 2 adsorption and its reaction with epoxides under green conditions.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3];  [3];  [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [4]; ORCiD logo [3]
  1. Institute of Inorganic Chemistry, Technische Universität Dresden, D-01062 Dresden, Germany
  2. Department of Chemical and Biological Engineering, Northwestern University, Evanston, USA
  3. Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), 50019 Sesto Fiorentino, Italy
  4. Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), 50019 Sesto Fiorentino, Italy, Institute of Chemistry and Processes for Energy, Environment and Health (ICPEES)
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1532429
Grant/Contract Number:  
FG02-08ER15967
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Molecular Systems Design & Engineering
Additional Journal Information:
Journal Name: Molecular Systems Design & Engineering; Journal ID: ISSN 2058-9689
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Müller, Philipp, Bucior, Benjamin, Tuci, Giulia, Luconi, Lapo, Getzschmann, Jürgen, Kaskel, Stefan, Snurr, Randall Q., Giambastiani, Giuliano, and Rossin, Andrea. Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates. United Kingdom: N. p., 2019. Web. doi:10.1039/C9ME00062C.
Müller, Philipp, Bucior, Benjamin, Tuci, Giulia, Luconi, Lapo, Getzschmann, Jürgen, Kaskel, Stefan, Snurr, Randall Q., Giambastiani, Giuliano, & Rossin, Andrea. Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates. United Kingdom. doi:10.1039/C9ME00062C.
Müller, Philipp, Bucior, Benjamin, Tuci, Giulia, Luconi, Lapo, Getzschmann, Jürgen, Kaskel, Stefan, Snurr, Randall Q., Giambastiani, Giuliano, and Rossin, Andrea. Tue . "Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates". United Kingdom. doi:10.1039/C9ME00062C.
@article{osti_1532429,
title = {Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates},
author = {Müller, Philipp and Bucior, Benjamin and Tuci, Giulia and Luconi, Lapo and Getzschmann, Jürgen and Kaskel, Stefan and Snurr, Randall Q. and Giambastiani, Giuliano and Rossin, Andrea},
abstractNote = {A combined theoretical–experimental approach has been exploited for the design of a zirconium bithiazole-based MOF for CO 2 adsorption and its reaction with epoxides under green conditions.},
doi = {10.1039/C9ME00062C},
journal = {Molecular Systems Design & Engineering},
number = ,
volume = ,
place = {United Kingdom},
year = {2019},
month = {1}
}

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