The molecular structure and curious motions in 1,1-difluorosilacyclopent-3-ene and silacyclopent-3-ene as determined by microwave spectroscopy and quantum chemical calculations

2022 ◽  
Author(s):  
Thomas McFadden ◽  
Nicole Moon ◽  
Frank Marshall ◽  
Amanda Duerden ◽  
Esther J Ocola ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Chirped Pulse

The molecules 1,1-difluorosilacyclopent-3-ene (3SiCPF2) and silacyclopent-3-ene (3SiCP) have been synthesized and studied using chirped pulse, Fourier transform microwave (CP-FTMW) spectroscopy. For 3SiCP this is the first ever microwave study of...

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...

scholarly journals Generation and structural characterization of Ge carbides GeCn (n = 4, 5, 6) by laser ablation, broadband rotational spectroscopy, and quantum chemistry

2019 ◽  
Vol 21 (35) ◽  
pp. 18911-18919
Author(s):  
Kin Long Kelvin Lee ◽  
Sven Thorwirth ◽  
Marie-Aline Martin-Drumel ◽  
Michael C. McCarthy
Keyword(s):  
Fourier Transform ◽  
Laser Ablation ◽  
Structural Characterization ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
High Level

Rotational spectra of three Ge carbides, linear GeC4, GeC5, and GeC6 have been observed using chirped pulse and cavity Fourier transform microwave spectroscopy via laser ablation, guided by new high-level quantum chemical calculations.

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.

Sign in / Sign up

Export Citation Format

Share Document