{"title":"多核交换耦合团簇中的自旋对称性","authors":"Roman Boča, Cyril Rajnák, Ján Titiš","doi":"10.3390/magnetochemistry9110226","DOIUrl":null,"url":null,"abstract":"The involvement of spin symmetry in the evaluation of zero-field energy levels in polynuclear transition metal and lanthanide complexes facilitates the division of the large-scale Hamiltonian matrix referring to isotropic exchange. This method is based on the use of an irreducible tensor approach. This allows for the fitting of the experimental data of magnetic susceptibility and magnetization in a reasonable time for relatively large clusters for any coupling path. Several examples represented by catena-[AN} and cyclo-[AN] systems were modeled. Magnetic data for 20 actually existing endohedral clusters were analyzed and interpreted.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"22 S4","pages":"0"},"PeriodicalIF":2.6000,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Spin Symmetry in Polynuclear Exchange-Coupled Clusters\",\"authors\":\"Roman Boča, Cyril Rajnák, Ján Titiš\",\"doi\":\"10.3390/magnetochemistry9110226\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The involvement of spin symmetry in the evaluation of zero-field energy levels in polynuclear transition metal and lanthanide complexes facilitates the division of the large-scale Hamiltonian matrix referring to isotropic exchange. This method is based on the use of an irreducible tensor approach. This allows for the fitting of the experimental data of magnetic susceptibility and magnetization in a reasonable time for relatively large clusters for any coupling path. Several examples represented by catena-[AN} and cyclo-[AN] systems were modeled. Magnetic data for 20 actually existing endohedral clusters were analyzed and interpreted.\",\"PeriodicalId\":18194,\"journal\":{\"name\":\"Magnetochemistry\",\"volume\":\"22 S4\",\"pages\":\"0\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2023-11-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Magnetochemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/magnetochemistry9110226\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Magnetochemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/magnetochemistry9110226","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Spin Symmetry in Polynuclear Exchange-Coupled Clusters
The involvement of spin symmetry in the evaluation of zero-field energy levels in polynuclear transition metal and lanthanide complexes facilitates the division of the large-scale Hamiltonian matrix referring to isotropic exchange. This method is based on the use of an irreducible tensor approach. This allows for the fitting of the experimental data of magnetic susceptibility and magnetization in a reasonable time for relatively large clusters for any coupling path. Several examples represented by catena-[AN} and cyclo-[AN] systems were modeled. Magnetic data for 20 actually existing endohedral clusters were analyzed and interpreted.
期刊介绍：
Magnetochemistry (ISSN 2312-7481) is a unique international, scientific open access journal on molecular magnetism, the relationship between chemical structure and magnetism and magnetic materials. Magnetochemistry publishes research articles, short communications and reviews. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced.
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