# Preparation and Photochemistry of Hydroxy Isocyanate

**Authors:** Guohai Deng, Caio M. Porto, Artur Mardyukov, Peter R. Schreiner

PMC · DOI: 10.1021/acs.jpca.5c03245 · 2025-07-07

## TL;DR

Scientists identified a new molecule, hydroxy isocyanate, which could be important in space and early life chemistry.

## Contribution

The first experimental identification and characterization of hydroxy isocyanate HONCO using spectroscopy and computations.

## Key findings

- HONCO was synthesized and isolated in argon matrices at low temperatures.
- UV irradiation caused HONCO to decompose into HON, HNO, and CO complexes.
- Matrix isolation IR and UV/vis spectroscopy confirmed the molecule's structure.

## Abstract

We describe the first spectroscopic identification of
hitherto
experimentally unreported hydroxy isocyanate HONCO, a potential candidate
for interstellar medium and prebiotic chemistry. This planar chain
molecule was prepared in the gas phase through flash vacuum pyrolysis
of phenyl N-hydroxycarbamate at 650 °C and was
subsequently trapped in argon matrices at 3.5 K. Its characterization
was accomplished by means of matrix isolation IR and UV/vis spectroscopy
together with quantum chemical computations. Upon UV light (λ
= 313 nm) irradiation, HONCO decomposes into hydrogen-bonded complexes
of HON and HNO with CO.

## Linked entities

- **Chemicals:** phenyl N-hydroxycarbamate (PubChem CID 148233), CO (PubChem CID 281), HNO (PubChem CID 945)

## Full-text entities

- **Chemicals:** argon (MESH:D001128), hydrogen (MESH:D006859), HON (MESH:C058222), CO (MESH:D002248), HONCO (-), HNO (MESH:C039900)

## Figures

6 figures with captions in the complete paper: https://tomesphere.com/paper/PMC12278247/full.md

---
Source: https://tomesphere.com/paper/PMC12278247