Related Experiment Video
Updated: Jun 9, 2025

Facile Preparation of 2Z,4E-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
Theoretical Investigation of the Reaction of O(1D) with Formamide
Desiree Bates1, Brian J Esselman1, Chase P Schultz1
1Department of Chemistry, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
Abstract:
Carbamic acid (H2NCOOH) is a small organic molecule that is terrestrially unstable in condensed phases under ambient conditions but could survive in the low densities and temperatures of the interstellar medium. In this work, the reaction of formamide (H2NCOH) and electronically excited oxygen atoms in the 1D state, namely, O(1D), has been investigated computationally to determine the feasibility of carbamic acid production. Geometries for carbamic acid and other potential reaction products have been calculated, as well as all pertinent transition states. In addition, harmonic and anharmonic frequency calculations were performed to determine quartic and sextic centrifugal distortion constants for all products. This work enables spectroscopic predictions that can guide the experimental search for carbamic acid. Presented here are the calculations, geometries, molecular constants, and spectral predictions for possible products of the reaction between formamide and O(1D), as well as a discussion of which products are favored.
More Related Videos
11:37Protocol for the Solid-phase Synthesis of Oligomers of RNA Containing a 2'-O-thiophenylmethyl Modification and Characterization via Circular Dichroism
Published on: July 28, 2017
08:46Regioselective O-Glycosylation of Nucleosides via the Temporary 2',3'-Diol Protection by a Boronic Ester for the Synthesis of Disaccharide Nucleosides
Published on: July 26, 2018
Related Concept Videos
Multiple Halogenation of Methyl Ketones: Haloform Reaction
Carboxylic Acids to Methylesters: Alkylation using Diazomethane
Preparation of 1° Amines: Hofmann and Curtius Rearrangement Mechanism
Diels–Alder Reaction Forming Cyclic Products: Stereochemistry
E1 Reaction: Kinetics and Mechanism
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...