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

Brian Jameson; Rainer Glaser

doi:10.1002/cphc.202200893

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

Brian Jameson
, Rainer Glaser

Chemistry

Research output: Contribution to journal › Article › peer-review

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 R ₁ O-CO-N(R ₂ )CH ₂ CF3, we unexpectedly observed two sets of ¹³ C NMR quartets for the CF ₃ group and we needed to understand their origin. Read the full text of the Research Article at 10.1002/cphc.2022005442.

Original language	American English
Article number	e202200442
Journal	Chemphyschem : a European journal of chemical physics and physical chemistry
Volume	24
Issue number	1
DOIs	https://doi.org/10.1002/cphc.202200893 https://doi.org/10.1002/cphc.202200442
State	Published - Jan 3 2023

Keywords

Carbamates
Multipaths Equilibria
Negative Hyperconjugation
Rotation-Inversion
Second-Order Saddle Points

Disciplines

Chemistry

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Rotation-Inversion Isomerization of Tertiary Carbamates PotentiaFinal published version, 464 KBLicense: CC BY
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Jameson, B., & Glaser, R. (2023). Rotation-Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi-Paths Isomerization using Boltzmann Statistics: Potential Energy Surface Analysis of Multi-Paths Isomerization Using Boltzmann Statistics. Chemphyschem : a European journal of chemical physics and physical chemistry, 24(1), Article e202200442. https://doi.org/10.1002/cphc.202200893, https://doi.org/10.1002/cphc.202200442

Rotation-Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi-Paths Isomerization using Boltzmann Statistics: Potential Energy Surface Analysis of Multi-Paths Isomerization Using Boltzmann Statistics. / Jameson, Brian; Glaser, Rainer.
In: Chemphyschem : a European journal of chemical physics and physical chemistry, Vol. 24, No. 1, e202200442, 03.01.2023.

Research output: Contribution to journal › Article › peer-review

Jameson, B & Glaser, R 2023, 'Rotation-Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi-Paths Isomerization using Boltzmann Statistics: Potential Energy Surface Analysis of Multi-Paths Isomerization Using Boltzmann Statistics', Chemphyschem : a European journal of chemical physics and physical chemistry, vol. 24, no. 1, e202200442. https://doi.org/10.1002/cphc.202200893, https://doi.org/10.1002/cphc.202200442

Jameson B, Glaser R. Rotation-Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi-Paths Isomerization using Boltzmann Statistics: Potential Energy Surface Analysis of Multi-Paths Isomerization Using Boltzmann Statistics. Chemphyschem : a European journal of chemical physics and physical chemistry. 2023 Jan 3;24(1):e202200442. doi: 10.1002/cphc.202200893, 10.1002/cphc.202200442

Jameson, Brian ; Glaser, Rainer. / Rotation-Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi-Paths Isomerization using Boltzmann Statistics : Potential Energy Surface Analysis of Multi-Paths Isomerization Using Boltzmann Statistics. In: Chemphyschem : a European journal of chemical physics and physical chemistry. 2023 ; Vol. 24, No. 1.

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

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