Pub Date : 2018-10-24DOI: 10.17677/fn20714807.2018.05.02
A. Rakhimov
The first quantum-chemical research of the initiation mechanism of cationic polymerization of 2methylbutene-1 in the presence of boron fluoride aqua complex by the ab initio method in 3311G** basis with the geometry optimization in all parameters using the gradient method when initial particle attacks αand β-carbonic monomer’s atoms has been performed. We have established that these reactions are exotermic and have the barrier character. The energy barrier when initial particle attacks isoolefin αand β-carbonic atom is equal to 147 kDg/mol and the heat of reaction is equal to 42 kDg/mol, on αand β-carbonic atom – 186 kDg/mol and 32 kDg/mol correspondingly. The reaction initiated according to the Markovnikov’s rule (attack on isoolefin αcarbonic atom) on 39 kDg/mol is energetically profitable.
{"title":"Quantum-chemical recearch of the cationic polymerization of iso-olefin 2-methylbutene-1 in the presence of boron fluoride aqua complex initiation mechanism","authors":"A. Rakhimov","doi":"10.17677/fn20714807.2018.05.02","DOIUrl":"https://doi.org/10.17677/fn20714807.2018.05.02","url":null,"abstract":"The first quantum-chemical research of the initiation mechanism of cationic polymerization of 2methylbutene-1 in the presence of boron fluoride aqua complex by the ab initio method in 3311G** basis with the geometry optimization in all parameters using the gradient method when initial particle attacks αand β-carbonic monomer’s atoms has been performed. We have established that these reactions are exotermic and have the barrier character. The energy barrier when initial particle attacks isoolefin αand β-carbonic atom is equal to 147 kDg/mol and the heat of reaction is equal to 42 kDg/mol, on αand β-carbonic atom – 186 kDg/mol and 32 kDg/mol correspondingly. The reaction initiated according to the Markovnikov’s rule (attack on isoolefin αcarbonic atom) on 39 kDg/mol is energetically profitable.","PeriodicalId":12217,"journal":{"name":"Fluorine Notes","volume":"167 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80538424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-10-24DOI: 10.17677/FN20714807.2018.05.03
I. Taidakov
{"title":"Synthesis of some 1,3-diketones of thiophene type, which contain perfluorinated linear substituents","authors":"I. Taidakov","doi":"10.17677/FN20714807.2018.05.03","DOIUrl":"https://doi.org/10.17677/FN20714807.2018.05.03","url":null,"abstract":"","PeriodicalId":12217,"journal":{"name":"Fluorine Notes","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90764024","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-10-24DOI: 10.17677/fn20714807.2018.05.04
S. Igumnov
It was described the method of fluorination of Cl-C-Si bond using Swarts reaction on the example of preparation of trimethyl(trifluoromethyl)silane.
以制备三甲基(三氟甲基)硅烷为例，介绍了用Swarts反应使Cl-C-Si键氟化的方法。
{"title":"Preparation of trifluoromethyl(trimethyl)silane using Swarts reaction","authors":"S. Igumnov","doi":"10.17677/fn20714807.2018.05.04","DOIUrl":"https://doi.org/10.17677/fn20714807.2018.05.04","url":null,"abstract":"It was described the method of fluorination of Cl-C-Si bond using Swarts reaction on the example of preparation of trimethyl(trifluoromethyl)silane.","PeriodicalId":12217,"journal":{"name":"Fluorine Notes","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80715827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-08-03DOI: 10.17677/FN20714807.2018.04.01
V. Dyachenko
{"title":"Synthesis and properties of CF2X-substituted 4-methyl-2-hydroxy(chloro)pyrimidines","authors":"V. Dyachenko","doi":"10.17677/FN20714807.2018.04.01","DOIUrl":"https://doi.org/10.17677/FN20714807.2018.04.01","url":null,"abstract":"","PeriodicalId":12217,"journal":{"name":"Fluorine Notes","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73387248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-08-03DOI: 10.17677/FN20714807.2018.04.02
V. Dotsenko
{"title":"Synthesis and structure of 4,6-bis(difluoromethyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile","authors":"V. Dotsenko","doi":"10.17677/FN20714807.2018.04.02","DOIUrl":"https://doi.org/10.17677/FN20714807.2018.04.02","url":null,"abstract":"","PeriodicalId":12217,"journal":{"name":"Fluorine Notes","volume":"38 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79466433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-08-03DOI: 10.17677/fn20714807.2018.04.03
E. Malykhin
{"title":"Modification of the amino group in polyfluorinated arylenediamines by reactions with aldehydes and quinones","authors":"E. Malykhin","doi":"10.17677/fn20714807.2018.04.03","DOIUrl":"https://doi.org/10.17677/fn20714807.2018.04.03","url":null,"abstract":"","PeriodicalId":12217,"journal":{"name":"Fluorine Notes","volume":"9 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80625909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-06-26DOI: 10.17677/FN20714807.2018.03.03
V. Skachkov
{"title":"Recovery of Zirconium From Alumina Production Red Muds","authors":"V. Skachkov","doi":"10.17677/FN20714807.2018.03.03","DOIUrl":"https://doi.org/10.17677/FN20714807.2018.03.03","url":null,"abstract":"","PeriodicalId":12217,"journal":{"name":"Fluorine Notes","volume":"215 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85881531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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