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

被引：1

作者：

Lawzer, Arun-Libertsen ^{[1
]}

Ganesan, Elavenil ^{[1
]}

Custer, Thomas ^{[1
]}

Guillemin, Jean-Claude ^{[2
]}

Kolos, Robert ^{[1
]}

机构：

[1] Polish Acad Sci, Inst Phys Chem, Ul Marcina Kasprzaka 44-52, PL-01224 Warsaw, Poland

[2] Univ Rennes, Ecole Natl Super Chim Rennes, CNRS IRCR 6226, F-35000 Rennes, France

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2025年

关键词：

MICROWAVE-SPECTRUM; BUILDING-BLOCKS; BASIS-SETS; PHOSPHAALKYNES; SPECTROSCOPY; CYANIDE; HCP;

D O I：

10.1039/d4cp04182h

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页数：9

共 6 条

[1] Isomerisation of phosphabutyne and a photochemical route to phosphabutadiyne (HC3P), a phosphorus analogue of cyanoacetylene ( jan , 10.1039/d4cp04182h , 2025)
Lawzer, Arun-Libertsen
Ganesan, Elavenil
Custer, Thomas
Guillemin, Jean-Claude
Kolos, Robert
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 27 (15) : 8005 - 8005
[2] Millimeter-wave spectroscopy of HC3P isotopomers and coupled-cluster calculations:: the molecular structure of phosphabutadiyne
Bizzocchi, L
Degli Esposti, C
Botschwina, P
CHEMICAL PHYSICS LETTERS, 2000, 319 (3-4) : 411 - 417
[3] HC3P:: results of coupled cluster calculations
Botschwina, P
Merzliak, T
Schulz, B
Heyl, A
JOURNAL OF MOLECULAR STRUCTURE, 2000, 517 : 301 - 306
[4] 2,4,6-Tri( hydroxy)-1,3,5-triphosphinine, P3C3(OH)3: The Phosphorus Analogue of Cyanuric Acid
Suter, Riccardo
Mei, Yanbo
Baker, Matthew
Benko, Zoltan
Li, Zhongshu
Grutzmacher, Hansjorg
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2017, 56 (05) : 1356 - 1360
[5] Enhanced visible-light photocatalytic activity of Ag2O/g-C3N4 p-n heterojunctions synthesized via a photochemical route for degradation of tetracycline hydrochloride
Ma, Shuaishuai
Xue, Jinjuan
Zhou, Yuming
Zhang, Zewu
RSC ADVANCES, 2015, 5 (50): : 40000 - 40006
[6] PHOTOCHEMICAL HYDROGENOLYSIS OF THE PHOSPHORUS-CYCLOPENTADIENYL BOND OF (CO)4MNMO(CO)3[ETA-5-C5H4P(C6H4-P-CH3)2] AND FORMATION OF THE PHOSPHIDO-BRIDGED METAL HYDRIDE COMPLEX (CO)4MN[MU-P(C6H4-PARA-CH3)2](MU-H)MO(CO)2(C5H5)
CASEY, CP
BULLOCK, RM
ORGANOMETALLICS, 1984, 3 (07) : 1100 - 1104

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