{"title":"离子液体在金属NPs稳定/不稳定中的作用","authors":"P. Singh, K. Kumari, R. Chandra, G. K. Mehrotra","doi":"10.1080/15533174.2015.1137590","DOIUrl":null,"url":null,"abstract":"AbstractInteraction of metal NPs with different number of ILs was studied. Basically, different energies for the interaction of various metal NP with the different number of tetrazole based ionic liquid were calculated. Herein, energies in terms of moldoc and rerank score have been calculated. How metal NPs interacts with ionic liquid in different ratio? Ionic liquid interaction energy increases on increasing the number of ionic liquids both in case of moldoc score and rerank score. Only exception has been seen when two molecules of ionic liquids interact with metal NPs showed the maximum stability. As far as metal NPs-IL interaction energy is concerned it again follows the same trend, it increases but again decreases in case of two ionic liquids. Steric interaction energy is also following the same trend. This energy is pairwise energy. Further, the deciding factor for the stability is the total energy and it increases with increase in number of IL and therefore, when the interaction of metal NPs was car...","PeriodicalId":22118,"journal":{"name":"Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2016-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/15533174.2015.1137590","citationCount":"0","resultStr":"{\"title\":\"Role of Ionic liquid in Stabilization/ destabilization of metal NPs\",\"authors\":\"P. Singh, K. Kumari, R. Chandra, G. K. Mehrotra\",\"doi\":\"10.1080/15533174.2015.1137590\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"AbstractInteraction of metal NPs with different number of ILs was studied. Basically, different energies for the interaction of various metal NP with the different number of tetrazole based ionic liquid were calculated. Herein, energies in terms of moldoc and rerank score have been calculated. How metal NPs interacts with ionic liquid in different ratio? Ionic liquid interaction energy increases on increasing the number of ionic liquids both in case of moldoc score and rerank score. Only exception has been seen when two molecules of ionic liquids interact with metal NPs showed the maximum stability. As far as metal NPs-IL interaction energy is concerned it again follows the same trend, it increases but again decreases in case of two ionic liquids. Steric interaction energy is also following the same trend. This energy is pairwise energy. Further, the deciding factor for the stability is the total energy and it increases with increase in number of IL and therefore, when the interaction of metal NPs was car...\",\"PeriodicalId\":22118,\"journal\":{\"name\":\"Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2016-05-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1080/15533174.2015.1137590\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1080/15533174.2015.1137590\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/15533174.2015.1137590","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Role of Ionic liquid in Stabilization/ destabilization of metal NPs
AbstractInteraction of metal NPs with different number of ILs was studied. Basically, different energies for the interaction of various metal NP with the different number of tetrazole based ionic liquid were calculated. Herein, energies in terms of moldoc and rerank score have been calculated. How metal NPs interacts with ionic liquid in different ratio? Ionic liquid interaction energy increases on increasing the number of ionic liquids both in case of moldoc score and rerank score. Only exception has been seen when two molecules of ionic liquids interact with metal NPs showed the maximum stability. As far as metal NPs-IL interaction energy is concerned it again follows the same trend, it increases but again decreases in case of two ionic liquids. Steric interaction energy is also following the same trend. This energy is pairwise energy. Further, the deciding factor for the stability is the total energy and it increases with increase in number of IL and therefore, when the interaction of metal NPs was car...
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