Gas-Phase Hydration of Perillaldehyde Investigated by Microwave Spectroscopy Assisted by Computational Chemistry

2020 ◽  
Vol 124 (32) ◽  
pp. 6511-6520
Author(s):  
Mhamad Chrayteh ◽  
Thérèse R. Huet ◽  
Pascal Dréan
Keyword(s):  
Computational Chemistry ◽  
Gas Phase ◽  
Microwave Spectroscopy

A vibrational spectroscopic and computational study of the structures of protonated imidacloprid and its fragmentation products in the gas phase

2021 ◽  
Vol 23 (5) ◽  
pp. 3377-3388
Author(s):  
Kelsey J. Menard ◽  
Jonathan Martens ◽  
Travis D. Fridgen
Keyword(s):  
Computational Chemistry ◽  
Gas Phase ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
Unimolecular Decomposition ◽  
Decomposition Products

Vibrational spectroscopy and computational chemistry studies were combined with the aim of elucidating the structures of protonated imidacloprid (pIMI), and its unimolecular decomposition products.

Gas-phase pyrolysis of trans 3-pentenenitrile: competition between direct and isomerization-mediated dissociation

2021 ◽  
Vol 23 (11) ◽  
pp. 6462-6471
Author(s):  
Piyush Mishra ◽  
Sean M. Fritz ◽  
Sven Herbers ◽  
Alexander M. Mebel ◽  
Timothy S. Zwier
Keyword(s):  
Gas Phase ◽  
Molecular Beam ◽  
Microwave Spectroscopy ◽  
Radical Species ◽  
Flash Pyrolysis

The flash pyrolysis of trans 3-pentenenitrile was studied by mass-correlated broadband microwave spectroscopy, where both molecular and radical species were observed within our jet-cooled molecular beam, including 2,4-pentadienenitrile.

Disentangling the complex network of non-covalent interactions in fenchone hydrates via rotational spectroscopy and quantum chemistry

2021 ◽  
Author(s):  
Mhamad Chrayteh ◽  
Ecaterina Burevschi ◽  
Donatella Loru ◽  
Therese R. Huet ◽  
Pascal Dréan ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Computational Chemistry ◽  
Complex Network ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Non Covalent Interactions ◽  
First Time ◽  
Covalent Interactions

The hydrates of the monoterpenoid fenchone (C10H16O).(H2O)n (n=1,2,3) were investigated both by computational chemistry and microwave spectroscopy. Two monohydrates, three dihydrates and for the first time three trihydrates have been...

Gas-phase structures of ethynyl- and vinyl pentafluorosulfur derivatives: an electron diffraction and microwave spectroscopy study

1991 ◽  
Vol 249 (2-4) ◽  
pp. 285-295 ◽  
Author(s):  
Petra Zylka ◽  
Dines Christen ◽  
Heinz Oberhammer ◽  
Gary L. Gard ◽  
R.J. Terjeson
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Microwave Spectroscopy ◽  
Spectroscopy Study ◽  
Phase Structures

Microwave Spectroscopy Measurements of the Gas-Phase Structure of Cyclopentadienyltungsten Tricarbonyl Hydride

2005 ◽  
Vol 24 (12) ◽  
pp. 2848-2853 ◽  
Author(s):  
Chakree Tanjaroon ◽  
Chandana Karunatilaka ◽  
Kristen S. Keck ◽  
Stephen G. Kukolich
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Microwave Spectroscopy ◽  
Gas Phase Structure
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