The simplest alkynyl thiocyanate HCCSCN and its isomers

Bo Lu; Zhuang Wu; Lina Wang; Bifeng Zhu; Guntram Rauhut; Xiaoqing Zeng

doi:10.1039/D1CC00629K

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The simplest alkynyl thiocyanate HCCSCN and its isomers†‡

Bo Lu,^a Zhuang Wu,^a Lina Wang,^a Bifeng Zhu,^a Guntram Rauhut

^b and Xiaoqing Zeng

*^a

Author affiliations

* Corresponding authors

^a Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
E-mail: xqzeng@fudan.edu.cn

^b Institute for Theoretical Chemistry, University of Stuttgart Pfaffenwaldring 55, Stuttgart 70569, Germany

Abstract

The simplest alkynyl thiocyanate HCCSCN has been synthesized and characterized for the first time. HCCSCN is surprisingly stable at room temperature but undergoes photoisomerization in an Ar-matrix (10 K) to yield the novel sulfenyl isocyanide HCCSNC and thioketene NCC(H)CS. The isomeric isothiocyanate HCCNCS, missing in the photochemistry of HCCSCN, can be generated through the photodecarbonylation of propiolyl isothiocyanate.

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Article information

DOI: https://doi.org/10.1039/D1CC00629K
Article type: Communication
Submitted: 03 Feb 2021
Accepted: 23 Feb 2021
First published: 24 Feb 2021

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Chem. Commun., 2021,57, 3343-3346

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The simplest alkynyl thiocyanate HCCSCN and its isomers

B. Lu, Z. Wu, L. Wang, B. Zhu, G. Rauhut and X. Zeng, Chem. Commun., 2021, 57, 3343 DOI: 10.1039/D1CC00629K

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Chemical Communications

The simplest alkynyl thiocyanate HCCSCN and its isomers†‡

Abstract

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The simplest alkynyl thiocyanate HCCSCN and its isomers

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