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On the Dynamics of the Carbon-Bromine Bond Dissociation in the 1-Bromo-2-Methylnaphthalene Radical Anion.

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第一作者： Marco,Bonechi

第一单位： Department of Chemistry "Ugo Schiff", University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Italy.

作者： Marco,Bonechi ^[1] ; Walter,Giurlani ^[1] ; Massimo,Innocenti ^[2] ; Dario,Pasini ^[3] ; Suryakant,Mishra ^[4] ; Roberto,Giovanardi ^[5] ; Claudio,Fontanesi ^[6]

作者单位： Department of Chemistry "Ugo Schiff", University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Italy. ^[1] Department of Chemistry "Ugo Schiff", University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Italy.;National Interuniversity Consortium of Materials Science and Technology (INSTM), Via G. Giusti 9, 50121 Firenze, Italy.;Center for Colloid and Surface Science (CSGI), Via della Lastruccia 3, 50019 Sesto Fiorentino, Italy. ^[2] Department of Chemistry, University of Pavia, Via Taramelli 10, 27100 Pavia, Italy. ^[3] Center for Integrated Nanotechnologies, Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. ^[4] Department of Engineering "Enzo Ferrari" (DIEF), University of Modena, Via Vivarelli 10, 41125 Modena, Italy. ^[5] National Interuniversity Consortium of Materials Science and Technology (INSTM), Via G. Giusti 9, 50121 Firenze, Italy.;Department of Engineering "Enzo Ferrari" (DIEF), University of Modena, Via Vivarelli 10, 41125 Modena, Italy. ^[6]

关键词 1-bromo-2-methylnaphthalene DFT DRC dissociation electron affinity molecular dynamics potential energy surface radical anion

主题词阴离子(Anions);溴(Bromine);碳(Carbon);电子(Electrons);萘类(Naphthalenes)

DOI 10.3390/molecules27144539

PMID 35889412

发布时间 2022-07-31

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