Nitrogen Quadrupole Coupling in the Rotational Spectrum of l-Isocyanoprop-2-yne, HC = CCH2NC
نویسنده
چکیده
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namensnennung 4.0 Lizenz. Nitrogen Quadrupole Coupling in the Rotational Spectrum of l-Isocyanoprop-2-yne, HC = CCH2NC
منابع مشابه
Investigating the Effects of Molecular Oxygen Impurity on the Quadrupole Coupling Constants of Boron Nitride Nanotubes: Computational Studies
Density functional theory (DFT) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (Qcc) parameters of armchair and zigzagboron nitride nanotubes (BNNTs). Optimization processes have been performed to relax the original andimpure structures of the investigated BNNTs. Afterwards, the Qcc parameters have been evaluated...
متن کاملNuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile
The rotational spectrum of 4-aminobenzonitrile in the gas phase between 2 and 8.5 GHz is reported. Due to the two chemically distinct nitrogen atoms, the observed transitions showed a rich hyperfine structure. From the determination of the nuclear quadrupole coupling constants, information about the electronic environment of these atoms could be inferred. The results are compared to data for re...
متن کاملThe S Nuclear Quadrupole Coupling in the Rotational Spectrum of awri-2,3-Dimethylthiirane
The rotational spectrum of an//-2,3-dimethylthiirane, CH 3 -C 2 H 2 S-CH 3 , was recently investigated in our laboratory [1]. In this study the rotational spectra of the normal, 3 S, and l 3 C isotopomers were measured, assigned and analysed for internal rotation and the molecular structure. The present communication aims at the nuclear quadrupole coupling of the 3 S isotopomer, measured in nat...
متن کاملRotational Spectrum and 14N-Quadrupole Coupling Constants of Orthofluorobenzonitrile, a Microwave Fouriertransform Study
Seventyseven a-type rotational transitions of Orthofluorobenzonitrile were observed and assigned in the 8 — 25 GHz frequency range. The spectrum was recorded using the high resolution microwave Fourier transform spectrometer constructed at Kiel University. For most transitions the l4N quadrupole hfs patterns could be fully resolved. The spectroscopic constants obtained by a fit to the observed ...
متن کاملFT-MWAND MILLIMETER WAVE SPECTROSCOPY OF PANHs: PHENANTHRIDINE, ACRIDINE, AND 1,10-PHENANTHROLINE
The pure rotational spectra of phenanthridine, acridine, and 1,10-phenanthroline, small polycyclic aromatic nitrogen heterocycle molecules (PANHs), have been measured and assigned from 2 to 85 GHz. An initial spectral assignment, guided by ab initio molecular orbital predictions, employed broadband Stark modulated millimeter wave absorption spectroscopy of a supersonic rotationally cold molecul...
متن کامل