First Detection of a Selenenyl Fluoride ArSe-F by NMR Spectroscopy:The Nature of Ar_2Se_2/XeF_2 and ArSe-SiMe3/XeF_2 Reagents

Helmut Poleschner; Konrad Seppelt

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First Detection of a Selenenyl Fluoride ArSe-F by NMR Spectroscopy:The Nature of Ar_2Se_2/XeF_2 and ArSe-SiMe3/XeF_2 Reagents

机译：NMR光谱法首次检测亚硒基氟化物ArSe-F：Ar_2Se_2 / XeF_2和ArSe-SiMe3 / XeF_2试剂的性质

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Arylselenenyl fluorides ArSeF are obtained from diselenides Ar_2Se_2 or arylselenotrimethylsilanes ArSe-SiMe_3,and XeF-2.They are detected by low-temperature ~19F and ~77Se NMR spectroscopy.Substitution in the ortho position of the aromatic ring to provide electronic or steric protection is a requirement for their formation.ArSe-F compounds decompose according to 3ArSe-F->[ArSe-SeF_2Ar] +ArSe-F->ArSeF_3 +Ar-2Se_2.Reaction energies for this disproportio-nation as well as that of the sulfur and tellurium homologues have been calculated with MP2,CCSD(T,)and B3LYP methods.They were found to be increasingly exothermic in the sequence S

机译：芳基硒烯基氟化物ArSeF得自二硒化物Ar_2Se_2或芳基硒代三甲基硅烷ArSe-SiMe_3和XeF-2，通过低温〜19F和〜77Se NMR光谱法进行检测。在芳香环的邻位取代可提供电子或空间保护ArSe-F化合物根据3ArSe-F-> [ArSe-SeF_2Ar] + ArSe-F-> ArSeF_3 + Ar-2Se_2分解。该歧化反应的反应能以及硫和已通过MP2，CCSD（T）和B3LYP方法计算了碲的同系物，发现它们在S

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《Chemistry: A European journal》 |2004年第24期|共10页
作者
Helmut Poleschner; Konrad Seppelt;
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正文语种 eng
中图分类化学;
关键词
ab initio calculations density functional calculations fluorine; NMR spectroscopy selenium;

机译：从头算计算密度泛函计算氟;NMR光谱硒;

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1. First Detection of a Selenenyl Fluoride ArSe-F by NMR Spectroscopy:The Nature of Ar_2Se_2/XeF_2 and ArSe-SiMe3/XeF_2 Reagents [J] . Helmut Poleschner, Konrad Seppelt Chemistry: A European journal . 2004,第24期

机译：NMR光谱法首次检测亚硒基氟化物ArSe-F：Ar_2Se_2 / XeF_2和ArSe-SiMe3 / XeF_2试剂的性质
2. Studies on the use of XeF_2 as digestion reagent [J] . E. Hoffmann, C. Ludke, J. Kurner, Fresenius' Journal of Analytical Chemistry . 1999,第7期

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3. Detection of Urinary Drug Metabolite (Xenometabolome) Signatures in Molecular Epidemiology Studies via Statistical Total Correlation (NMR) Spectroscopy [J] . Elaine Holmes, Ruey Leng Loo, Olivier Cloarec, Analytical chemistry . 2007,第7期

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First Detection of a Selenenyl Fluoride ArSe-F by NMR Spectroscopy:The Nature of Ar_2Se_2/XeF_2 and ArSe-SiMe3/XeF_2 Reagents

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