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固态氩中分离出的炔丙基阳离子的直接红外吸收光谱。

Direct IR Absorption Spectra of Propargyl Cation Isolated in Solid Argon.

作者信息

Chin Chih-Hao, Lin Meng-Yeh, Huang Tzu-Ping, Wu Pei-Zhen, Wu Yu-Jong

机构信息

National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu, 30076, Taiwan.

Department of Applied Chemistry, National Chiao Tung University, 1001, Ta-Hsueh Road, Hsinchu, 30010, Taiwan.

出版信息

Sci Rep. 2018 Sep 26;8(1):14392. doi: 10.1038/s41598-018-32644-3.

DOI:10.1038/s41598-018-32644-3
PMID:30258064
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6158168/
Abstract

The direct infrared (IR) absorption spectra of propargyl cations were recorded. These cations were generated via the electron bombardment of a propyne/Ar matrix sample during matrix deposition. Secondary photolysis with selected ultraviolet (UV) light was used for grouping the observed bands of various products. The band assignment of the propargyl cation in solid Ar was performed according by referring to the previous infrared photodissociation (IRPD) and velocity-map imaging photoelectron (VMI-PE) data, and via theoretical predictions of the anharmonic vibrational wavenumbers, band intensities, and deuterium-substituted isotopic ratios. Almost all the IR active bands with an observable intensity were recorded and the ν mode was reported for the first time.

摘要

记录了炔丙基阳离子的直接红外(IR)吸收光谱。这些阳离子是在基质沉积过程中通过对丙炔/氩基质样品进行电子轰击产生的。使用选定的紫外(UV)光进行二次光解,以对各种产物的观测谱带进行分组。通过参考先前的红外光解离(IRPD)和速度映射成像光电子(VMI-PE)数据,并通过对非谐振动波数、谱带强度和氘取代同位素比的理论预测,对固态氩中炔丙基阳离子进行了谱带归属。记录了几乎所有具有可观测强度的红外活性谱带,并首次报道了ν模式。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fadc/6158168/569de8049b2c/41598_2018_32644_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fadc/6158168/6302a1f93675/41598_2018_32644_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fadc/6158168/569de8049b2c/41598_2018_32644_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fadc/6158168/6302a1f93675/41598_2018_32644_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fadc/6158168/569de8049b2c/41598_2018_32644_Fig2_HTML.jpg

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本文引用的文献

1
Formation and identification of borane radical anions isolated in solid argon.硼烷自由基阴离子在固体氩中的形成和鉴定。
J Chem Phys. 2018 Feb 21;148(7):074307. doi: 10.1063/1.5016869.
2
UV absorption spectrum of allene radical cations in solid argon.固态氩中丙二烯自由基阳离子的紫外吸收光谱。
Spectrochim Acta A Mol Biomol Spectrosc. 2018 May 5;196:233-237. doi: 10.1016/j.saa.2018.02.028. Epub 2018 Feb 8.
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Direct infrared observation of hydrogen chloride anions in solid argon.直接观察固态氩中的盐酸阴离子。
J Chem Phys. 2017 Sep 21;147(11):114301. doi: 10.1063/1.4993638.
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Electronic spectrum of the propargyl cation (H2C3H(+)) tagged with Ne and N2.与氖气和氮气结合的丙炔阳离子(H₂C₃H⁺)的电子光谱。
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Communication: A vibrational study of propargyl cation using the vacuum ultraviolet laser velocity-map imaging photoelectron method.通讯:使用真空紫外激光速度映射成像光电离方法研究丙炔鎓阳离子的振动。
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Highly accurate quartic force fields, vibrational frequencies, and spectroscopic constants for cyclic and linear C3H3(+).高精度四次方力场、振动频率和循环与线性 C3H3(+) 的光谱常数。
J Phys Chem A. 2011 May 19;115(19):5005-16. doi: 10.1021/jp2019704. Epub 2011 Apr 21.
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Explicitly correlated coupled cluster calculations for the propargyl cation (H2C3H+) and related species.炔丙基阳离子 (H2C3H+) 及其相关物种的显式相关耦合簇计算。
Phys Chem Chem Phys. 2011 May 7;13(17):7921-9. doi: 10.1039/c1cp20206e. Epub 2011 Mar 28.
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J Chem Phys. 2010 Feb 7;132(5):051101. doi: 10.1063/1.3298881.
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