Gas-Phase Generation and Matrix Isolation of the Methylsulfonyl Radical CH3SO2 center dot from Allylmethylsulfone

Reisenauer Hans Peter; Schreiner Peter R.; Romanski Jaroslaw; Mloston Grzegorz

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Gas-Phase Generation and Matrix Isolation of the Methylsulfonyl Radical CH3SO2 center dot from Allylmethylsulfone

机译：烯丙基甲基砜的气相生成和甲基磺酰基自由基CH3SO2中心点的分离

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The atmospherically highly relevant methylsulfonyl radical (CH3SO2 center dot) was generated by high-vacuum flash pyrolysis (HVFP) of allylmethylsulfone and isolated in an argon matrix at 10 K; the allyl radical formed as the cofragment. Upon thermolysis, the methylsulfonyl radical undergoes partial decomposition, leading to substantial amounts of sulfur dioxide in the matrix. The title compound was characterized through the assignment of eight fundamental IR bands of its CD3 and (CH3)-C-13 isotopologues and the excellent agreement with the B3LYP/6-311+G(3df,3pd) computed harmonic vibrational frequencies. The two most intense absorptions were found at 1267.1 and 1067.6 cm(-1). In extension of this study S-methyl methanethiosulfonate was found to be another suitable, although less efficient, precursor for the gas-phase generation of the methylsulfonyl radical.

机译：空气中高度相关的甲基磺酰基基团（CH3SO2中心点）是通过烯丙基甲基砜的高真空快速热解（HVFP）生成的，并在10 K的氩气基质中分离;形成烯丙基的烯丙基。在热分解时，甲基磺酰基自由基发生部分分解，从而导致基质中大量的二氧化硫。该标题化合物的特征是，通过分配其CD3和（CH3）-C-13同位素8个基本IR波段，并与B3LYP / 6-311 + G（3df，3pd）计算的谐波振动频率极佳的一致性。在1267.1和1067.6 cm（-1）处发现了两个最强烈的吸收。在该研究的扩展中，发现甲硫代磺酸S-甲基酯是另一种合适的，尽管效率较低的前驱体，用于气相生成甲磺酰基自由基。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2015年第11期|共6页
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Reisenauer Hans Peter; Schreiner Peter R.; Romanski Jaroslaw; Mloston Grzegorz;
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1. Gas-Phase Generation and Matrix Isolation of the Methylsulfonyl Radical CH3SO2 center dot from Allylmethylsulfone [J] . Reisenauer Hans Peter, Schreiner Peter R., Romanski Jaroslaw, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2015,第11期

机译：烯丙基甲基砜的气相生成和甲基磺酰基自由基CH3SO2中心点的分离
2. Polysulfonylamines. CLVI. Crystal structures of metal di(methauesulfonyl)amides. 8. A surprising pair of isostructural compounds: Crystal structure of AgNa[(CH3SO2)(2)N](2)center dot 2 H2O and space-group revision for Li[(CH3SO2)(2)N]center dot H2O [ [J] . Moers O., Blaschette A., Jones PG. Zeitschrift fur Anorganische und Allgemeine Chemie . 2002,第9a10期

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机译：限制（sigma）（中心点）BR（B（sub c）（sup（+ - ））（产量）J /（psi）+（pi）（sup（+ - ）））/（sigma）（中心点））BR（B（sub u）（sup（+ - ））（产率）J /（psi）+ K（sup（+ - ）））（基）s = 1.8 TeV质子 - 反质子碰撞

Gas-Phase Generation and Matrix Isolation of the Methylsulfonyl Radical CH3SO2 center dot from Allylmethylsulfone

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