Work

Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics

Year: 2023

Type: article

Abstract: The front cover artwork is provided by Prof. Rainer Glaser's group at the Missouri University of Science and Technology. The image shows one of four potential energy surfaces generated from our rotation‐inversion study of tertiary carbamates and highlights two of the eight possible transition state pathways between two ensembles of E‐ and Z‐minima. In the context of synthetic studies of fluorinated carbamates R1O−CO−N(R2)CH2CF3, we unexpectedly observed two sets of 13C NMR quartets for the CF3 group and we needed to understand their origin. Read the full text of the Research Article at 10.1002/cphc.2022005442 .

Source: ChemPhysChem

DOI: 10.1002/cphc.202200893

Authors: Brian Jameson, Rainer Glaser

Institution: Missouri University of Science and Technology

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: bronze

Funder: National Science Foundation

Awards: Biomimetic and Rubisco-Inspired CO2 Capture from Air, MRI: Acquisition of a Supercomputer to Enable Advanced Computational Science and Engineering Research and Education in Missouri