Microwave Spectroscopic Investigation and Structural Determination of the Ar–Difluoropyridine van der Waals

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dc.contributor.authorSun, Ming
dc.contributor.authorKamaee, Mahdi
dc.contributor.authorvan Wijngaarden, Jennifer
dc.date.accessioned2021-10-12T15:47:51Z
dc.date.available2021-10-12T15:47:51Z
dc.date.issued2014-08-21
dc.date.submitted2021-10-12T15:28:10Zen_US
dc.description.abstractThe ground state rotational spectra of the van der Waals dimers of 2,3-, 2,4-, 2,5-, 2,6-, and 3,5-difluoropyridine with argon were investigated in the range of 4 to 26 GHz using both Fourier transform microwave (FTMW) and chirped pulse Fourier transform microwave (cp-FTMW) spectroscopy. The spectroscopic parameters derived from fitting the observed transitions were used to estimate the van der Waals coordinates of the five weakly bound complexes and to quantitatively describe their internal dynamics using a pseudodiatomic model. The experimental structures are in fair agreement with MP2 calculations (6-311++G(2d, 2p)) and have the centers of mass of the two moieties separated by 3.486 to 3.545 Å with the Ar atom lying 2-10o from the c-axis of the ring monomeren_US
dc.description.sponsorshipNSERC RGPIN/0653-2016en_US
dc.identifier.citationSun, M.; Kamaee, M.; van Wijngaarden, J. Microwave Spectroscopic Investigation and Structural Determination of the Ar–Difluoropyridine van der Waals Complexes. J. Phys. Chem. A 2014, 118, 38, 8730–8736.en_US
dc.identifier.doi10.1021/jp507018a
dc.identifier.urihttp://hdl.handle.net/1993/36036
dc.language.isoengen_US
dc.publisherThe Journal of Physical Chemistry Aen_US
dc.rightsopen accessen_US
dc.subjectstructure determinationen_US
dc.subjectmicrowave spectroscopyen_US
dc.subjectquantum chemistry calculationsen_US
dc.subjectvan der Waals complexesen_US
dc.subjectdifluoropyridineen_US
dc.titleMicrowave Spectroscopic Investigation and Structural Determination of the Ar–Difluoropyridine van der Waalsen_US
dc.typePreprinten_US
local.author.affiliationFaculty of Scienceen_US
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