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Hydrogen-Atom Tunneling in Metaphosphorous Acid.
Qian, Weiyu; Chu, Xianxu; Song, Chao; Wu, Zhuang; Jiao, Mengqi; Liu, Hanwen; Zou, Bin; Rauhut, Guntram; Tew, David P; Wang, Lina; Zeng, Xiaoqing.
Afiliação
  • Qian W; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
  • Chu X; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
  • Song C; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
  • Wu Z; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
  • Jiao M; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
  • Liu H; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
  • Zou B; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
  • Rauhut G; Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, Stuttgart, 70569, Germany.
  • Tew DP; Max-Planck Institute for Solid State Research, Heisenbergstraße 1, Stuttgart, 70569, Germany.
  • Wang L; Department of Chemistry, Fudan University, Shanghai, 200433, China.
  • Zeng X; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Suzhou, China.
Chemistry ; 26(37): 8205-8209, 2020 Jul 02.
Article em En | MEDLINE | ID: mdl-32302021
ABSTRACT
Metaphosphorous acid (HOPO), a key intermediate in phosphorus chemistry, has been generated in syn- and anti-conformations in the gas phase by high-vacuum flash pyrolysis (HVFP) of a molecular precursor ethoxyphosphinidene oxide (EtOPO→C2 H4 +HOPO) at ca. 1000 K and subsequently trapped in an N2 -matrix at 2.8 K. Unlike the two conformers of the nitrogen analogue HONO, the anti-conformer of HOPO undergoes spontaneous rotamerization at 2.8 K via hydrogen-atom tunneling (HAT) with noticeable kinetic isotope effects for H/D (>104 for DOPO) and 16 O/18 O (1.19 for H18 OPO and 1.06 for HOP18 O) in N2 -matrices.
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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: 2020 Tipo de documento: Article País de afiliação: China
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chemistry Assunto da revista: QUIMICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: China