Internal dynamics features in the free jet rotational spectrum of the acetaldehyde-Kr molecular complex

2005 ◽  
Vol 122 (13) ◽  
pp. 134310 ◽  
Author(s):  
S. Melandri ◽  
P. G. Favero ◽  
W. Caminati ◽  
B. Velino
Keyword(s):  
Molecular Complex ◽  
Rotational Spectrum ◽  
Internal Dynamics ◽  
Free Jet

scholarly journals Millimeter-wave spectroscopy and modeling of 1,2-butanediol

2018 ◽  
Vol 619 ◽  
pp. A140 ◽  
Author(s):  
A. Vigorito ◽  
C. Calabrese ◽  
S. Melandri ◽  
A. Caracciolo ◽  
S. Mariotti ◽  
...  
Keyword(s):  
Millimeter Wave ◽  
Conformational Space ◽  
Rotational Spectrum ◽  
Free Jet ◽  
Enhanced Sensitivity ◽  
Millimeter Wavelengths ◽  
Global Minimum Search ◽  
Centrifugal Distortion Constants ◽  
Telescope Arrays ◽  
Complex Organic

Context. The continuously enhanced sensitivity of radioastronomical observations allows the detection of increasingly complex organic molecules. These systems often exist in a large number of isomers leading to very congested spectra. Aims. We explore the conformational space of 1,2-butanediol and provide sets of spectroscopic parameters to facilitate searches for this molecule at millimeter wavelengths. Methods. We recorded the rotational spectrum of 1,2-butanediol in the 59.6–103.6 GHz frequency region (5.03–2.89 mm) using a free-jet millimeter-wave absorption spectrometer, and we analyzed the properties of 24 isomers with quantum chemical calculations. Selected measured transition lines were then searched on publicly available ALMA Band 3 data on IRAS 16293-2422 B. Results. We assigned the spectra of six conformers, namely aG′Ag, gG′Aa, g′G′Ag, aG′G′g, aG′Gg, and g′GAa, to yield the rotational constants and centrifugal distortion constants up to the fourth or sixth order. The most intense signal belong to the aG′Ag species, that is the global minimum. Search for the corresponding 30x,30 − 29x,29 transition lines toward IRAS 16293-2422 B was unsuccessful. Conclusions. Our present data will be helpful for identifying 1,2-butanediol at millimeter wavelengths with radio telescope arrays. Among all possible conformers, first searches should be focused on the aG′Ag conformers in the 400–800 GHz frequency spectral range.

Weak CH⋅⋅⋅F Bridges and Internal Dynamics in the CH3F⋅CHF3 Molecular Complex

2005 ◽  
Vol 117 (25) ◽  
pp. 3908-3912 ◽  
Author(s):  
Walther Caminati ◽  
Juan C. López ◽  
José L. Alonso ◽  
Jens-Uwe Grabow
Keyword(s):  
Molecular Complex ◽  
Internal Dynamics

Weak CH⋅⋅⋅F Bridges and Internal Dynamics in the CH3F⋅CHF3 Molecular Complex

2005 ◽  
Vol 44 (25) ◽  
pp. 3840-3844 ◽  
Author(s):  
Walther Caminati ◽  
Juan C. López ◽  
José L. Alonso ◽  
Jens-Uwe Grabow
Keyword(s):  
Molecular Complex ◽  
Internal Dynamics

Investigation of a van der Waals complex with C1 symmetry: the free-jet rotational spectrum of 1,2-difluoroethane–Ar

2000 ◽  
Vol 321 (1-2) ◽  
pp. 31-36 ◽  
Author(s):  
Sonia Melandri ◽  
Biagio Velino ◽  
Paolo G Favero ◽  
Adele Dell'Erba ◽  
Walther Caminati
Keyword(s):  
Van Der Waals ◽  
Rotational Spectrum ◽  
Van Der Waals Complex ◽  
Free Jet

Rotational Spectrum and Internal Dynamics of Methylpyruvate

2013 ◽  
Vol 117 (3) ◽  
pp. 590-593 ◽  
Author(s):  
Biagio Velino ◽  
Laura B. Favero ◽  
Paolo Ottaviani ◽  
Assimo Maris ◽  
Walther Caminati
Keyword(s):  
Rotational Spectrum ◽  
Internal Dynamics

Rotational Spectrum of 2,3-Benzofuran

2003 ◽  
Vol 68 (9) ◽  
pp. 1572-1578 ◽  
Author(s):  
B. Michela Giuliano ◽  
Walther Caminati
Keyword(s):  
Excited State ◽  
Ground State ◽  
Rotational Spectrum ◽  
Frequency Range ◽  
Supersonic Expansion ◽  
Rotational Constants ◽  
Millimetre Wave ◽  
Rotational Spectra ◽  
Wave Absorption ◽  
Free Jet

The rotational spectra of the ground state and of one vibrational satellite of 2,3-benzofuran have been measured by millimetre-wave absorption free jet spectroscopy in the frequency range 60-78 GHz. The value of the inertial defect (-0.072 uÅ2) shows the molecule to be planar. The shifts of the rotational constants in going from the ground to the excited state indicate that the observed vibrational satellite does not belong to the two lowest energy motions, the butterfly and 1,3-ring-twisting, which undergo relaxation upon the supersonic expansion.

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