Conformations and Low-Frequency Intramolecular Motions of 1-Butanol, 1-Butanethiol, Iso-butanol, and Iso-butanethiol Investigated by Fourier Transform Microwave Spectroscopy Combined with Quantum Chemical Calculations

2021 ◽  
Vol 125 (5) ◽  
pp. 1166-1183
Author(s):  
Yoshiyuki Kawashima ◽  
Yugo Tanaka ◽  
Taigo Uzuyama ◽  
Eizi Hirota
Keyword(s):  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Low Frequency ◽  
Microwave Spectroscopy ◽  
Fourier Transform Microwave Spectroscopy ◽  
Intramolecular Motions

Competitive tetrel bond and hydrogen bond in benzaldehyde-CO2: Characterization by rotational spectroscopy

2021 ◽  
Author(s):  
Hao Wang ◽  
Xiujuan Wang ◽  
Xiao Tian ◽  
Wanying Cheng ◽  
Yang Zheng ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Rotational Spectrum ◽  
Pulsed Jet ◽  
Tetrel Bond ◽  
Fourier Transform Microwave Spectroscopy

The rotational spectrum of the 1:1 benzaldehyde-CO2 complex has been investigated by pulsed-jet Fourier transform microwave spectroscopy complemented with quantum chemical calculations. Two isomers, both characterized by one C···O tetrel...

Conformational preference determined by inequivalent n-pairs: rotational studies on acetophenone and its monohydrate

2019 ◽  
Vol 21 (41) ◽  
pp. 22888-22894 ◽  
Author(s):  
Juncheng Lei ◽  
Jiaqi Zhang ◽  
Gang Feng ◽  
Jens-Uwe Grabow ◽  
Qian Gou
Keyword(s):  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Conformational Preference ◽  
Pulsed Jet ◽  
Fourier Transform Microwave Spectroscopy

Acetophenone and its complex with water have been investigated by using pulsed jet Fourier transform microwave spectroscopy complemented with quantum chemical calculations.

Hydrogen versus tetrel bonds in complexes of 3-oxetanone with water and formaldehyde

2021 ◽  
Vol 23 (12) ◽  
pp. 7295-7301
Author(s):  
Junhua Chen ◽  
Hao Wang ◽  
Zbigniew Kisiel ◽  
Qian Gou ◽  
Walther Caminati
Keyword(s):  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Fourier Transform Microwave Spectroscopy ◽  
Tetrel Bonds

The ability and preference of 3-oxetanone to form hydrogen or tetrel bonds have been investigated in its complexes with water and formaldehyde by using Fourier transform microwave spectroscopy complemented with quantum chemical calculations.

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