Molecular structure and spectroscopic properties of two radicals of C4H2N: a DFT study-Reference-Cited by-同舟云学术

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Molecular structure and spectroscopic properties of two radicals of C4H2N: a DFT study

Published:2023-01-28 Issue:2 Volume:29 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Song Xiaomin,Wang Meishan,Zhao Yanliang,Yang Chuanlu,Ma Xiaoguang,Pang Weixiu,Li Yuanju

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Computational Theory and Mathematics,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-023-05448-0.pdf

Reference25 articles.

1. Cabezas C, Agúndez M, Marcelino N, Tercero B, Pardo JR, de Vicente P, Cernicharo J (2021) Discovery of interstellar 3-cyano propargyl radical, CH2CCCN. Astron. Astrophys. 654:L9

2. Chen W, McCarthy MC, Travers MJ, Gottlieb EW, Munrow MR, Novick SE, Gottlieb CA, Thaddeus P (1998) Laboratory detection of a new carbon chain radical: H2CCCCN. Astrophys. J. 492:849–853

3. Tang J, Sumiyoshi Y, Endo Y (2001) Laboratory observation of para-H2C4N. Astrophys. J. 552:409–412

4. Su H, Kaiser RI, Chang AHH (2005) A theoretical study for the reaction of vinyl cyanide C2H3CN (X1A') with the ground state carbon atom C (3P) in cold molecular clouds. J. Chem. Phys. 122:074320

5. Guo Y, Gu X, Zhang F, Tang MS, Sun BJ, Chang AHH, Kaiser RI (2006) A crossed beams study of the reaction of carbon atoms, C (3Pj), with vinyl cyanide, C2H3CN (X 1A')-investigating the formation of cyano propargyl radicals. Phys. Chem. Chem. Phys. 8:5454–5461

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