In:
Angewandte Chemie, Wiley, Vol. 133, No. 43 ( 2021-10-18), p. 23405-23412
Abstract:
Coordination polymers (CPs) with infinite metal–sulfur bond networks have unique electrical conductivities and optical properties. However, the development of new (‐M‐S‐) n ‐structured CPs is hindered by difficulties with their crystallization. Herein, we describe the use of machine learning to optimize the synthesis of trithiocyanuric acid (H 3 ttc)‐based semiconductive CPs with infinite Ag−S bond networks, report three CP crystal structures, and reveal that isomer selectivity is mainly determined by proton concentration in the reaction medium. One of the CPs, [Ag 2 Httc] n , features a 3D‐extended infinite Ag−S bond network with 1D columns of stacked triazine rings, which, according to first‐principle calculations, provide separate paths for holes and electrons. Time‐resolved microwave conductivity experiments show that [Ag 2 Httc] n is highly photoconductive ( φ Σ μ max =1.6×10 −4 cm 2 V −1 s −1 ). Thus, our method promotes the discovery of novel CPs with selective topologies that are difficult to crystallize.
Type of Medium:
Online Resource
ISSN:
0044-8249
,
1521-3757
DOI:
10.1002/ange.v133.43
DOI:
10.1002/ange.202110629
Language:
English
Publisher:
Wiley
Publication Date:
2021
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