Porous Coordination Network Pore Design for Medium-Sized Molecules
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Solution Overview
Problem
Existing porous coordination networks (PCNs) face challenges in analyzing medium-sized molecules due to the need for considering both molecular size and shape compatibility, limiting their application in structural analysis and pharmaceutical development.
Innovation Solution
A novel porous coordination network with a three-dimensional structure, featuring specific metal ions and ligands, allows for the encapsulation of guest molecules, enabling effective analysis of medium-sized molecules through tailored pore shapes and sizes.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If existing PCN structures are used for molecular analysis, then the structure can maintain stability after solvent removal, but the ability to analyze medium-sized molecules is limited due to shape compatibility requirements
Solution Approach 1:
The patent divides the ligand system into multiple components (first ligand with nitrogen donor atoms, second ligand with oxygen donor atoms from carboxyl groups) that coordinate to metal ions to form a modular PCN structure. This segmentation allows independent optimization of pore size and shape characteristics to accommodate medium-sized molecules while maintaining structural stability.
Solution Approach 2:
The patent creates a composite PCN structure combining different types of ligands (organic ligands with nitrogen and oxygen donor atoms) coordinated to metal ions (Mg2+, Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+, Rh2+, Ag2+, Cd2+, Ir3+, Pt3+, or Au3+). This composite approach enables tailored pore structures that can adapt to medium-sized molecules while maintaining the stability needed for crystal structure analysis.
2Volume of stationary object
If pore size is simply adjusted to accommodate guest molecules, then molecular encapsulation may be achieved, but the chemical structure compatibility between guest molecule and PCN is not optimized
Solution Approach 1:
The patent applies local quality by designing specific ligand environments within the PCN pores. The first ligand provides nitrogen donor atoms while the second ligand provides oxygen donor atoms from carboxyl groups, creating localized chemical environments that are compatible with medium-sized molecules. This local chemical characterization enhances guest molecule incorporation beyond what would be achieved by pore size adjustment alone.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
The novel PCN structure facilitates accurate molecular structure determination and crystal structure analysis of medium-sized molecules, enhancing pharmaceutical development and expanding applications in adsorption, separation, and purification processes.
Implementation Method 1
A porous coordination network (PCN) including metal ions and organic ligands have an infinite structure that can maintain the structure after the solvent is removed
Data Source
AI summary
A porous coordination network is represented by the following formulas (I) to (VIII), in which M2+ is a divalent metal ion, M3+ is a trivalent metal ion, L1a and L1b are tridentate ligands having hexaazaphenalenyl, L2a and L2b are bidentate or tridentate ligands containing a carboxy group, L3− is a tertiary ligand ion that is an anion of triazole or a triazole derivative, and Y is a cation.