报告题目：Topology of coordination polymers and H-bonded networks
报告人：EVGENII V. ALEKSANDROV 教授 俄罗斯萨马拉国立医科大学
报告摘要：The scientific direction of the topological design of periodic supramolecular structures has attracted greate attantion. Topological approaches to the design of one-, two-, and three-periodic networks and methods for the reticular (network) chemistry of coordination polymers and porous organic crystals have been developed. The most complete periodically updated systematics of topological motifs of metal-organic frameworks (MOFs) is created based on the construction and analysis of the topological properties of underlying nets. A new method is proposed for determining, up to isomorphism, the topology of the entaglement of rings in crystalline structures, based on the construction of ring nets. For the first time, databases of topological descriptors of molecular and polymeric building units, underlying nets, ring nets, nets of pores and channels of porous space in MOF and HOF crystals have been created. A system of structural-topological correlations and design principles for new periodic structures has been developed and introduced into international practice. A new topological approach has been proposed for predicting the open porosity of molecular cages packings. Schemes for designing and predicting the topology of underlying nets for several classes of materials are proposed. The formulated principles for the design of crystalline structures of MOFs and HOFs, as well as the created knowledge bases of descriptors of structural features and properties of the studied crystalline materials, are available on the Internet at https://topcryst.com/, https://topospro.com/, can be used for developing new crystalline materials. The created knowledge bases have more than 7000 users worldwide. The topological nomenclature was accepted by the International Union of Pure and Applied Chemistry (IUPAC) and the International Union of Crystallographers (IUCr).
EVGENII V. ALEKSANDROV，俄罗斯萨马拉国立医科大学药物化学系主任，教授，俄罗斯萨马拉国立技术大学高级研究员。研究方向主要包括晶体工程中的专家系统和知识数据库、晶体化学中的计算机拓扑方法、配位聚合物的晶体化学、晶体设计与工程、配位聚合物的合成、配位聚合物的力学、吸附、光学、感官和电化学性能。担任俄罗斯科学基金、俄罗斯政府重大资助项目、萨马拉理工大学学位论文委员会和10余种科学期刊(Q1,Q2)的审稿人。