Van der Waals Complexes of 2-Chloro-, 2-Methyl-, and 1,3-Dimethylazulene with Rare Gases:  Microscopic Solvent Shifts, Structures, and Binding Energies

1997 ◽  
Vol 101 (43) ◽  
pp. 7989-7997 ◽  
Author(s):  
Osama K. Abou-Zied ◽  
Hemant K. Sinha ◽  
Ronald P. Steer
Keyword(s):  
Van Der Waals ◽  
Binding Energies ◽  
Van Der Waals Complexes ◽  
Rare Gases ◽  
Solvent Shifts

scholarly journals Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-Ne

Molecules ◽  
2021 ◽  
Vol 27 (1) ◽  
pp. 17
Author(s):  
Alberto Macario ◽  
Susana Blanco ◽  
Ibon Alkorta ◽  
Juan Carlos López
Keyword(s):  
Theoretical Calculations ◽  
Van Der Waals ◽  
Supersonic Jet ◽  
Van Der Waals Interactions ◽  
Van Der Waals Complexes ◽  
Rotational Spectrum ◽  
Rare Gases ◽  
Chirped Pulse ◽  
Pulse Microwave ◽  
Perfluorinated Compound

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.

Binding energies of carbazole⋅S van der Waals complexes (S=N2, CO, and CH4)

1995 ◽  
Vol 103 (17) ◽  
pp. 7228-7239 ◽  
Author(s):  
Thomas Bürgi ◽  
Thierry Droz ◽  
Samuel Leutwyler
Keyword(s):  
Van Der Waals ◽  
Binding Energies ◽  
Van Der Waals Complexes

Structure and energetics of van der Waals complexes of carbon monoxide with rare gases. He–CO and Ar–CO

1994 ◽  
Vol 101 (6) ◽  
pp. 4964-4974 ◽  
Author(s):  
B. Kukawska‐Tarnawska ◽  
G. Chal/asiński ◽  
K. Olszewski
Keyword(s):  
Carbon Monoxide ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Rare Gases

Solvent shifts in van der waals complexes of perylene

1987 ◽  
Vol 140 (3) ◽  
pp. 286-292 ◽  
Author(s):  
John C. Ketteley ◽  
Jeffrey W. Oram ◽  
T.Frank Palmer ◽  
John P. Simons ◽  
A.Terry Amos
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Solvent Shifts

S2−S0Spectroscopy of the van der Waals Complexes of Azulene with Rare Gases

1996 ◽  
Vol 100 (11) ◽  
pp. 4375-4381 ◽  
Author(s):  
Osama K. Abou-Zied ◽  
Hemant K. Sinha ◽  
Ronald P. Steer
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Rare Gases

R2PI detection and spectroscopy of van der Waals complexes of 4-fluorostyrene with rare gases

1995 ◽  
Vol 236 (6) ◽  
pp. 580-586 ◽  
Author(s):  
M. Coreno ◽  
S. Piccirillo ◽  
A.Giardini Guidoni ◽  
A. Mele ◽  
A. Palleschi ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Rare Gases
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