Methylphosphonyl difluoride (DF), also known as EA-1251[2] or difluoro, [3] is a chemical weapon precursor. Its chemical formula is CH 3 POF 2. It is a Schedule 1 substance under the Chemical Weapons Convention.

This compound is a precursor to the chemical weapons sarin and soman and is expected to react similarly to both of those compounds. See the chemical datasheets for sarin and soman for more information. difluorophosphorylmethane. InChI=1S/CH3F2OP/c1-5 (2,3)4/h1H3. PQIOSYKVBBWRRI-UHFFFAOYSA-N. CP (=O) (F)F. CH3F2OP.

2004年12月31日 · In this paper, we report calculations employing several gaussian basis sets and including electronic correlation at the MP2 and DFT/B3LYP levels. We bring new data related to the molecular properties, vibrational spectrum and barrier to methyl rotation of the methylphosphonic difluoride molecule, and try to set it on a more reliable ground.

1988年8月1日 · The first microwave study of CH3POF2 proposed rather unrealistic phosphorus bond angles with O = P-C =105.8 (10) and FP-F =115.2 (3) . Since this result with a double bond-single bond angle (O - PC) being smaller than a single bond-single bond angle (F-P-F) contradicts common intuition based on the VSEPR model [6], it prompted ab initio ...

1982年4月1日 · Comparison with experimental microwave results for CH 3 POF 2 reveals an apparent error of interpretation in the experimental study leading to a radically incorrect angular distribution of bonds around the phosphorus atom.

Microwave, raman and infrared spectra of CH3POF2. The structural parameters of gaseous monomethyl‐ and dimethylphosphine were determined by the sector‐microphotometer method of electron diffraction. Center of gravity bond distances and standard… Vibrational Spectra of Organophosphorus Compounds. II. Infrared and Raman Spectra of CH3POF2and CH3POFCI

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2024年4月5日 · 甲基磷酰二氟（Methylphosphonyl difluoride，简称MPDF）是一种有机磷化合物，分子式为CH3POF2，是一种无色透明液体。它具有刺激性气味，易溶于水和有机溶剂。 甲基磷酰二氟是一种有机磷化合物，其主要用途是作为化学武器的原料。

2004年12月1日 · The molecular structure and vibrational spectrum of methylphosphonic difluoride (CH3POF2) were determined through ab initio calculations at HF, MP2 and DFT/B3LYP levels using several gaussian ...

Among the latter is methylphosphonic difluoride (CH3POF2), an interesting eight-atom molecule. Aside from its technological importance as a potential component in binary chemical ammunition [1], CH3POF2 has received extensive attention from experimental and theoretical chemists [2–8].