磷丁炔的异构化和光化学途径合成磷丁二炔（HC3P），一种氰基乙炔的磷类似物

IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2025-01-24 DOI:10.1039/D4CP04182H

Arun-Libertsen Lawzer, Elavenil Ganesan, Thomas Custer, Jean-Claude Guillemin and Robert Kołos

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引用次数: 0

摘要

利用红外光谱辅助理论（DFT）预测研究了磷酸丁-1-炔（CH3CH2CP）的光化学性质。紫外线照射的化合物，在低温氩气基质中分离，经历异构化和解离。磷丁炔的几种异构体，除磷丁炔（HC3P）外，还形成乙基膦烯（HCCP）和磷乙炔（HCP）作为主要光产物。本文首次检测并分析了天体化学相关分子HC3P和CH2CHCP（乙烯基磷酸乙炔）的振动谱。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Isomerisation of phosphabutyne and a photochemical route to phosphabutadiyne (HC3P), a phosphorus analogue of cyanoacetylene†

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Isomerisation of phosphabutyne and a photochemical route to phosphabutadiyne (HC3P), a phosphorus analogue of cyanoacetylene†

The photochemistry of phosphabut-1-yne, CH₃CH₂CP, was investigated by means of infrared spectroscopy assisted by theoretical (DFT) predictions. The UV-irradiated compound, isolated in a cryogenic argon matrix, undergoes isomerization and dissociation. Several isomers of phosphabutyne, in addition to phosphabutadiyne (HC₃P), ethynylphosphinidene (HCCP), and phoshaethyne (HCP) are formed as the main photoproducts. Vibrational spectra of astrochemically relevant molecules HC₃P and CH₂CHCP (vinylphosphaethyne), have been detected and analyzed here for the first time.

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来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.