Data-driven efficient synthetic exploration of anionic lanthanide-based metal-organic frameworks

Yu Kitamura; Yuiga Nakamura; Kunihisa Sugimoto; Hirofumi Yoshikawa; Daisuke Tanaka

doi:10.1039/d2cc04985f

Data-driven efficient synthetic exploration of anionic lanthanide-based metal-organic frameworks

Chem Commun (Camb). 2022 Oct 11;58(81):11426-11429. doi: 10.1039/d2cc04985f.

Authors

Yu Kitamura¹, Yuiga Nakamura², Kunihisa Sugimoto³, Hirofumi Yoshikawa⁴, Daisuke Tanaka¹

Affiliations

¹ Department of Chemistry, School of Science, Kwansei Gakuin University, 1 Gakuen-Uegahara, Sanda, Hyogo 669-1337, Japan. dtanaka@kwansei.ac.jp.
² Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan.
³ Department of Chemistry, Kindai University, 3-4-1 Kowakae, Higashi-osaka, Osaka 577-8501, Japan.
⁴ Program of Materials Science, School of Engineering, Kwansei Gakuin University, 1 Gakuen-Uegahara, Sanda, Hyogo 669-1337, Japan.

PMID: 36148832
DOI: 10.1039/d2cc04985f

Abstract

The synthesis of lanthanide metal-organic frameworks with terephthalate (Ln-BDC-MOFs) was investigated using a data-driven approach. Visually mapping the previously reported synthetic conditions suggested the existence of unexplored search spaces for novel Ln-BDC-MOFs. By focusing on the unexplored chemical reaction space, we successfully synthesized a series of new anionic Ln-BDC-MOFs, KGF-15, which demonstrated potential as luminescent sensors for Cu²⁺ ions. This synthetic exploration approach can significantly reduce the experimental effort required to discover new materials.