van der waals complexes
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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.


2021 ◽  
pp. 111559
Author(s):  
Xiang Li ◽  
Yuanyuan Pu ◽  
Zhuang Liu ◽  
Yinxin Sun ◽  
Chuanxi Duan

Author(s):  
Trevor Jenkins ◽  
Kristian Berland ◽  
Timo Thonhauser

2021 ◽  
Vol 154 (19) ◽  
pp. 194302
Author(s):  
Jean Demaison ◽  
Natalja Vogt ◽  
Yan Jin ◽  
Rizalina Tama Saragi ◽  
Marcos Juanes ◽  
...  

2021 ◽  
pp. 111442
Author(s):  
I.V. Tarabukin ◽  
L.A. Surin ◽  
M. Hermanns ◽  
B. Heyne ◽  
S. Schlemmer ◽  
...  

Author(s):  
Camille Makarem ◽  
Jie Wei ◽  
Richard A Loomis ◽  
Joshua P Darr

The competition between multiple pathways sampled during the energetic relaxation of excited molecules can be difficult to experimentally decipher. The rare gas···dihalogen van der Waals complexes have remained key systems...


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