Gas-Phase Structure of 3,7,9-tris(trifluoromethylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane by GED and Theoretical Calculations

Gas-Phase Structure of 3,7,9-tris(trifluoromethylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane by GED and Theoretical Calculations

The molecular structure and conformational and rotational composition of 3,7,9-tris(trifluoromethylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane <b>1</b> have been investigated by synchronous gas-phase electron diffraction/mass spectrometry GED/MS and theoretical calculations (B3LYP and M06...

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Bibliographic Details
Main Authors: Bagrat A. Shainyan, Alexey V. Eroshin, Valeriya A. Mukhina, Sergey A. Shlykov
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Molecules
Subjects:
tris(triflyl)-3,7,9-triazabicyclo[3.3.1]nonane
gas electron diffraction
conformational analysis
DFT calculations
Online Access:https://www.mdpi.com/1420-3049/28/9/3933

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https://www.mdpi.com/1420-3049/28/9/3933

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