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.

Competitive and cooperative n → π* and n → σ* interactions in benzaldehyde–formaldehyde: rotational characterization

2021 ◽  
Vol 23 (14) ◽  
pp. 8778-8783
Author(s):  
Hao Wang ◽  
Juan Wang ◽  
Junhua Chen ◽  
Sven Herbers ◽  
Huaili Zheng ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Ab Initio ◽  
Microwave Spectroscopy ◽  
Rotational Spectrum ◽  
Pulsed Jet ◽  
Fourier Transform Microwave Spectroscopy

The rotational spectrum of the 1 : 1 benzaldehyde–formaldehyde complex has been investigated by pulsed jet Fourier transform microwave spectroscopy combined with ab initio calculations.

Structure and C⋯N tetrel-bonding of the isopropylamine–CO2 complex studied by microwave spectroscopy and theoretical calculations

2020 ◽  
Vol 22 (16) ◽  
pp. 8467-8475 ◽  
Author(s):  
Tao Lu ◽  
Jiaqi Zhang ◽  
Qian Gou ◽  
Gang Feng
Keyword(s):  
Hydrogen Bonds ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Theoretical Calculations ◽  
Microwave Spectroscopy ◽  
Aliphatic Amines ◽  
Rotational Spectroscopy ◽  
Tetrel Bond

The structural and energetic features of C⋯N tetrel bond and C–H⋯O hydrogen bonds linking CO2 and aliphatic amines were characterized with rotational spectroscopy and 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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