Synthesis and crystal structure of methylphosphonic dichloride and N,N-diethyl-P-methylphosphonamidic chloride

IF 4.7 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-08-25 Epub Date: 2025-04-09 DOI:10.1016/j.molstruc.2025.142323

Almaz A. Zagidullin , Farida F. Naileva , Robert R. Fayzullin , Daut R. Islamov , Vasily A. Miluykov

引用次数: 0

Abstract

A method for synthesizing N,N-diethyl-P-methylphosphonamidic chloride via the reaction of methylphosphonic dichloride with diethylamine is presented. The structures of methylphosphonic dichloride and N,N-diethyl-P-methylphosphonamidic chloride were confirmed using single-crystal X-ray diffraction, as well as nuclear magnetic resonance and infrared spectroscopies. The formation of the 3D crystal structure is facilitated to the multiple nonclassical hydrogen bonds formed between the oxygen atom of the P=O group and the hydrogen atoms of the P–CH₃ methyl group.

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二氯甲基膦和N，N-二乙基- p -甲基膦酰胺氯的合成及晶体结构

介绍了二氯甲基膦与二乙胺反应合成N，N-二乙基-对甲基膦酰胺氯的方法。利用单晶x射线衍射、核磁共振和红外光谱对二氯甲基膦和N，N-二乙基- p -甲基膦酰胺的结构进行了确证。P=O基团的氧原子与P - ch3甲基的氢原子之间形成了多个非经典氢键，促进了三维晶体结构的形成。

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.