2024
DOI: 10.1002/chem.202402383
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Computational Design of 3D Lantern Organic Framework

Lam H. Nguyen,
Thanh N. Truong

Abstract: This study employed a computational approach, particularly Density Functional Theory at B3LYP‐D3/6‐31+G(d) level to design two new classes of three‐dimensional (3D) Lantern Organic Frameworks (LOFs) materials based on trisilasumanene and porphyrin core building units. Particularly, we detail strategies for transitioning from 1DLOF nanowires to extended 3D structures: first by connecting planar‐molecule base units of trisilasumanene or porphyrin using benzene‐based linkers, and then connecting silicon anchoring… Show more

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