Matrix isolation study on the 1:1 hydrogen-bonded complexes [H, C, N] … [H, C, N, O

Barbara Keresztes,István Pál Csonka,Győző György Lajgút,Gábor Bazsó,György Tarczay

doi:10.1016/j.molstruc.2020.128535

Barbara Keresztes, István Pál Csonka + Show 3 more

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https://doi.org/10.1016/j.molstruc.2020.128535

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Abstract

[H, C, N] … [H, C, N, O] complexes were prepared by the photolysis of 1,2,5- and 1,3,4-oxadiazoles, utilizing the cage effect of the low-temperature, rigid Ar matrix. The complexes were characterized and identified by IR spectroscopy aided by quantum chemical computations. In the case of 1,2,5-oxadiazole HCNO⋯HCN, HCN⋯HCNO, HCN⋯HNCO, and HCN⋯HOCN complexes were identified among the 220 nm photolysis products. The 220 nm photolysis of 1,3,4-oxadiazole generated HCN⋯HNCO and HCN⋯HOCN. Upon a secondary photolysis by a Hydrogen lamp, hydrogen isocyanide complexes, namely HCNO⋯HNC, HNCO⋯HNC and HNC⋯HOCN could also be prepared and characterized spectroscopically. On the basis of product distribution, photodecomposition mechanisms are proposed.

Highlights

IntroductionPseudohalogenides are among the most abundant molecular species in interstellar space
Pseudohalogenides are among the most abundant molecular species in interstellar space. Several representatives of these compounds have already been identified in the interstellar medium (ISM), including HCN [1], HNC [2], HNCO [3], HCNO [4], and HOCN [5,6]
Since the ratio of the different isomers are sensitive to many parameters, the relative abundance of these compounds is considered as a sensitive indicator of the physical and chemical environments of ISM [7]

Summary

Introduction

Pseudohalogenides are among the most abundant molecular species in interstellar space Several representatives of these compounds have already been identified in the interstellar medium (ISM), including HCN [1], HNC [2], HNCO [3], HCNO [4], and HOCN [5,6]. Since the ratio of the different isomers are sensitive to many parameters, the relative abundance of these compounds is considered as a sensitive indicator of the physical and chemical environments of ISM [7]. These compounds might be the precursors of complex organic molecules formed in space.

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