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Parent Thioketene S-Oxide H2 CCSO: Gas-Phase Generation, Structure, and Bonding Analysis.
Wu, Zhuang; Xu, Jian; Sokolenko, Liubov; Yagupolskii, Yurii L; Feng, Ruijuan; Liu, Qian; Lu, Yan; Zhao, Lili; Fernández, Israel; Frenking, Gernot; Trabelsi, Tarek; Francisco, Joseph S; Zeng, Xiaoqing.
Afiliação
  • Wu Z; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, China.
  • Xu J; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, China.
  • Sokolenko L; Organofluorine Chemistry Department, Institute of Organic Chemistry, National Academy of Sciences of (Ukraine), Murmanskaya str. 5, 02660, Kiev-94, Ukraine.
  • Yagupolskii YL; Organofluorine Chemistry Department, Institute of Organic Chemistry, National Academy of Sciences of (Ukraine), Murmanskaya str. 5, 02660, Kiev-94, Ukraine.
  • Feng R; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, China.
  • Liu Q; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, China.
  • Lu Y; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, China.
  • Zhao L; Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing, 211816, China.
  • Fernández I; Departamento de Química Orgánica I and Centro de Innovación en Química Avanzada, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040, Madrid, Spain.
  • Frenking G; Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing, 211816, China.
  • Trabelsi T; Fachbereich Chemie, Philipps-Universität Marburg, Marburg, 35032, Germany.
  • Francisco JS; Donostia International Physics Center (DIPC), P.K. 1072, 20080, Donostia-San Sebastian, Spain.
  • Zeng X; University of Nebraska-Lincoln, Lincoln, Nebraska, 68526, USA.
Chemistry ; 23(65): 16566-16573, 2017 Nov 21.
Article em En | MEDLINE | ID: mdl-28872716
The parent thioketene S-oxide H2 CCSO has been generated in the gas phase through flash vacuum pyrolysis (ca. 1000 K) of vinyl sulfoxide H2 CC(Br)-S(O)CF3 via the intermediacy of a novel vinyl sulfinyl radical H2 C=C(Br)-SO (syn and anti conformers). Upon irradiation at 266 nm, H2 CCSO decomposes into HCCH/SO and H2 CS/CO in cryogenic Ar matrix. Whereas, visible-light irradiations result in syn↔anti conformational interconversion in H2 C=C(Br)-SO. The molecular structures of H2 CCSO and isomers are computationally studied at the CCSD(T)-F12/VTZ-F12 level of theory, and the bonding properties of H2 CCSO are analyzed with the EDA-NOCV method at the M06-2X/TZ2P level.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chemistry Assunto da revista: QUIMICA Ano de publicação: 2017 Tipo de documento: Article País de afiliação: China País de publicação: Alemanha
Texto completo
Adicionar na Minha BVS
Imprimir
XML
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chemistry Assunto da revista: QUIMICA Ano de publicação: 2017 Tipo de documento: Article País de afiliação: China País de publicação: Alemanha