High-resolution spectroscopy of 4-fluorostyrene-rare gas van der Waals complexes: Results and comparison with theoretical calculations

1998 ◽  
Vol 108 (5) ◽  
pp. 1836-1850 ◽  
Author(s):  
N. M. Lakin ◽  
G. Pietraperzia ◽  
M. Becucci ◽  
E. Castellucci ◽  
M. Coreno ◽  
...  
1983 ◽  
Vol 79 (12) ◽  
pp. 5769-5779 ◽  
Author(s):  
Samuel Leutwyler ◽  
Uzi Even ◽  
Joshua Jortner

Molecules ◽  
2021 ◽  
Vol 27 (1) ◽  
pp. 17
Author(s):  
Alberto Macario ◽  
Susana Blanco ◽  
Ibon Alkorta ◽  
Juan Carlos López

The rotational spectrum of the pentafluoropyridine-Ne complex, generated in a supersonic jet, has been investigated using chirped-pulse microwave Fourier transform spectroscopy in the 2–8 GHz range. The spectra of the 20Ne and 22Ne species have been observed, and the rotational constants have been used to determine the structure of the complex. This structure, and those of the previously experimentally studied complexes benzene-Ne and pyridine-Ne, are an excellent benchmark for the theoretical calculations on these adducts. These complexes and hexafluorobenzene-Ne have been investigated at the CCSD/6-311++G(2d,p) level. The calculations reproduce the experimental structures well and show how the van der Waals complexes are stronger for the perfluorinated compound.


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