Journalartikel

Jahr der Veröffentlichung: 2021

Seiten: 7023-7028

Zeitschrift: The Journal of Physical Chemistry A

Bandnummer: 125

Heftnummer: 32

ISSN: 1089-5639

DOI Link: https://doi.org/10.1021/acs.jpca.1c06151

Verlag: American Chemical Society

Abstract: 
We generated and isolated hitherto unreported aminohydroxymethylene (1, aminohydroxycarbene) in solid Ar via pyrolysis of oxalic acid monoamide (2). Astrochemically relevant carbene 1 is persistent under cryogenic conditions and only decomposes to HNCO + H-2 and NH3 + CO upon irradiation of the matrix at 254 nm. This photoreactivity is contrary to other hydroxycarbenes and aminomethylene, which undergo [1,2]H shifts to the corresponding carbonyls or imine. The experimental data are well supported by the results of CCSD(T)/cc-pVTZ and B3LYP/6-311++G(3df,3pd) computations.

Harvard-Zitierstil: Bernhardt, B., Ruth, M., Reisenauer, H. and Schreiner, P. (2021) Aminohydroxymethylene (H2N–C̈–OH), the Simplest Aminooxycarbene, The Journal of Physical Chemistry A, 125(32), pp. 7023-7028. https://doi.org/10.1021/acs.jpca.1c06151

APA-Zitierstil: Bernhardt, B., Ruth, M., Reisenauer, H., & Schreiner, P. (2021). Aminohydroxymethylene (H2N–C̈–OH), the Simplest Aminooxycarbene. The Journal of Physical Chemistry A. 125(32), 7023-7028. https://doi.org/10.1021/acs.jpca.1c06151