The research paper “Topological motifs in cyanometallates: from building units to three-periodic frameworks” was published in Chemical Reviews in October, 2015. The authors of the paper are Eugeny V. Alexandrov (Samara State Aerospace University, Samara), Alexander V. Virovets (A.V. Nikolaev Institute of Inorganic Chemistry, Novosibirsk), Vladislav A. Blatov (Samara State Aerospace University, Samara), and Eugenia V. Peresypkina (A.V. Nikolaev Institute of Inorganic Chemistry, Novosibirsk).
Cyanometallates are a class of coordination compounds with valuable magnetic and optical properties. They can be applicable as sorbents, and were tested as solid electrolytes for accumulators’ production.
“We have performed a comprehensive topological systematics of cyanometallates and revealed regularities of their formation from definite building units”, - says one of the authors, research fellow of Samara Center for Theoretical Materials Science Eugeny Alexandrov.
“The article is dedicated to our research in the field of prediction of materials’ structure and properties and concerns one of the widespread chemical class - coordination compounds. Eventually, we develop an expert system which can predict a structure and properties of substances. Cyanometallates as an important chemical family are a good example to demonstrate how our principles and research methods work”, - explains Prof. Vladislav Blatov, the director of Samara Center for Theoretical Materials Science.
The researchers not only analyzed the existing literature, defined the stages of cyanometallates chemistry development, but also revealed new regularities. To analyze large scale of data, find out correlations between a structure and properties of materials is possible thanks to the TOPOS program package, which is being developed by SCTMS research team.
In last 15 years the problem of new materials design automation became more vital. In the present research paper the scientists offer the systematics that will enable researchers to perform design of new materials and plan experiments considering obtained data.
Link to the publication
Chemical Reviews is one of the most highly regarded and highest-ranked scientific journals published monthly by the American Chemical Society (ACS). It was established in 1924. Chemical Reviews ranked second in the world in scientific influence: 2014 impact factor - 46.568, 2015 IF- 49.