Pure rotational spectrum of the NCCS radical studied by Fourier-transform microwave spectroscopy

2003 ◽  
Vol 118 (17) ◽  
pp. 7803-7807 ◽  
Author(s):  
Masakazu Nakajima ◽  
Yoshihiro Sumiyoshi ◽  
Yasuki Endo
Keyword(s):  
Fourier Transform ◽  
Microwave Spectroscopy ◽  
Rotational Spectrum ◽  
Fourier Transform Microwave Spectroscopy

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...

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.

Rotational spectrum and properties of the hydrogen-bonded heterodimer H 2 O· · · HCN from pulsed-nozzle, Fourier-transform microwave spectroscopy

1984 ◽  
Vol 396 (1811) ◽  
pp. 405-423 ◽  
Keyword(s):  
Fourier Transform ◽  
Microwave Spectroscopy ◽  
Coupling Constants ◽  
Spectroscopic Constants ◽  
Rotational Spectrum ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Fourier Transform Microwave Spectroscopy ◽  
Pulsed Nozzle ◽  
Hydrogen Bonded

The ground state rotational spectrum of a hydrogen-bonded heterodimer formed from water and hydrogen cyanide has been detected and measured by using the technique of pulsed-nozzle, Fourier-transform microwave spectroscopy. Rotational constants ( B 0 , C 0 ) centrifugal distortion constants ( ∆ J , ∆ JK ) and, where appropriate, 14 N-, D- or 17 O-nuclear quadrupole coupling constants have been determined for the following isotopic species; H 2 16 O· · · HC 14 N, H 2 18 O· · · HC 14 N, H 2 16 O· · · HC 15 N, HD 16 O· · · HC 15 N, D 2 16 O· · · HC 15 N, H 2 16 O· · · DC 15 N, HD 16 O· · · DC 15 N and H 2 17 O· · · HC 15 N. An analysis of these spectroscopic constants indicates that the heterodimer is effectively planar, with a pair of equivalent protons and the arrangement H 2 O· · · HCN. The intermolecular interaction is through a hydrogen bond between HCN and H 2 O and the distance between the O and C nuclei r (O· · · C) is 3.157 Å (1Å = 10 -10 m). An interpretation of the nuclear quadrupole coupling constants leads to the conclusion that arccos <cos 2 Φ > ½ ≈ 51°, where Φ is the angle between the local C 2 axis of H 2 O and the a -axis of the complex; and that arccos <cos 2 θ > ½ ≈ 10°, where θ is the angle between the HCN axis and the a -axis. The intermolecular stretching force constant k σ = 11 Nm -1 has been determined from ∆ J .

Analysis of Internal Rotation and Determination of the Heavy Atom Structure of anti-2,3-Dimethylthiirane by Fourier Transform Microwave Spectroscopy

1996 ◽  
Vol 51 (10-11) ◽  
pp. 1099-1106 ◽  
Author(s):  
Holger Hartwig ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Ground State ◽  
Heavy Atom ◽  
Microwave Spectroscopy ◽  
Rotational Spectrum ◽  
Advanced Technique ◽  
Fourier Transform Microwave Spectroscopy ◽  
Potential Parameters

Abstract We used the advanced technique of Fourier transform microwave spectroscopy to measure and assign the ground state rotational spectrum of anti-2,3-dimethylthiirane, and to analyse the internal rotation of the two methyl groups. The potential parameters obtained are V3 = 13.1678(21) and V12' = -1.6678(25) kJ/mol. The measurement and assignment of the 13C and 34S isotopomers in the ground state allowed to determine the molecular structure of the heavy atom frame using the Τs and Τ0 methods.

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