Identification and geometry of dimers of phosphine and the hydrogen halides HCl and HBr from their rotational spectra detected by pulsed-nozzle, fourier-transform microwave spectroscopy

Author(s):  
A. C. Legon ◽  
L. C. Willoughby
2020 ◽  
Vol 22 (44) ◽  
pp. 25652-25660 ◽  
Author(s):  
Isabel Peña ◽  
Carlos Cabezas

Rotational spectra of van der Waals complexes pyrrole–Ne and pyrrole–Ne2 have been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2–8 GHz frequency region.


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 .


2018 ◽  
Vol 20 (34) ◽  
pp. 22210-22217 ◽  
Author(s):  
Jack B. Graneek ◽  
William C. Bailey ◽  
Melanie Schnell

The rotational spectra of 2- and 3-nitrobenzonitrile were recorded via chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2–8 GHz.


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