{"title":"通过晶体轨道键合指数 (COBI) 探索不同碲化镉中银-银相互作用的性质","authors":"Leander Weinelt, Simon Steinberg","doi":"10.3390/inorganics12070192","DOIUrl":null,"url":null,"abstract":"Over the decades, intensive explorations have been conducted to understand the nature of d10−d10 interactions. The recent establishment of a bonding indicator named the crystal orbital bond index stimulated our impetus to probe the capabilities of that approach for the examples of Ag–Ag interactions in different tellurides. In the framework of our quantum chemical explorations, we inspected the electronic structures of two tellurides which were previously reported to comprise d10−d10 interactions, while the third candidate material, i.e., RbCe2Ag3Te5, has been obtained from reactions of rubidium chloride, cerium, silver and tellurium for the very first time. The outcome of our explorations clearly shows that the nature of Ag–Ag interactions is well mirrored by the corresponding COBI.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring the Nature of Ag–Ag Interactions in Different Tellurides by Means of the Crystal Orbital Bond Index (COBI)\",\"authors\":\"Leander Weinelt, Simon Steinberg\",\"doi\":\"10.3390/inorganics12070192\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Over the decades, intensive explorations have been conducted to understand the nature of d10−d10 interactions. The recent establishment of a bonding indicator named the crystal orbital bond index stimulated our impetus to probe the capabilities of that approach for the examples of Ag–Ag interactions in different tellurides. In the framework of our quantum chemical explorations, we inspected the electronic structures of two tellurides which were previously reported to comprise d10−d10 interactions, while the third candidate material, i.e., RbCe2Ag3Te5, has been obtained from reactions of rubidium chloride, cerium, silver and tellurium for the very first time. The outcome of our explorations clearly shows that the nature of Ag–Ag interactions is well mirrored by the corresponding COBI.\",\"PeriodicalId\":13572,\"journal\":{\"name\":\"Inorganics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-07-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.3390/inorganics12070192\",\"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":"Inorganics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3390/inorganics12070192","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Exploring the Nature of Ag–Ag Interactions in Different Tellurides by Means of the Crystal Orbital Bond Index (COBI)
Over the decades, intensive explorations have been conducted to understand the nature of d10−d10 interactions. The recent establishment of a bonding indicator named the crystal orbital bond index stimulated our impetus to probe the capabilities of that approach for the examples of Ag–Ag interactions in different tellurides. In the framework of our quantum chemical explorations, we inspected the electronic structures of two tellurides which were previously reported to comprise d10−d10 interactions, while the third candidate material, i.e., RbCe2Ag3Te5, has been obtained from reactions of rubidium chloride, cerium, silver and tellurium for the very first time. The outcome of our explorations clearly shows that the nature of Ag–Ag interactions is well mirrored by the corresponding COBI.
期刊介绍:
Inorganics is an open access journal that covers all aspects of inorganic chemistry research. Topics include but are not limited to: synthesis and characterization of inorganic compounds, complexes and materials structure and bonding in inorganic molecular and solid state compounds spectroscopic, magnetic, physical and chemical properties of inorganic compounds chemical reactivity, physical properties and applications of inorganic compounds and materials mechanisms of inorganic reactions organometallic compounds inorganic cluster chemistry heterogenous and homogeneous catalytic reactions promoted by inorganic compounds thermodynamics and kinetics of significant new and known inorganic compounds supramolecular systems and coordination polymers bio-inorganic chemistry and applications of inorganic compounds in biological systems and medicine environmental and sustainable energy applications of inorganic compounds and materials MD