Rotational Spectrum and 14N-Quadrupole Coupling Constants of Orthofluorobenzonitrile, a Microwave Fouriertransform Study
نویسندگان
چکیده
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 hfs-center frequencies and to the observed hfs multiplet splittings are: A = 2940.745(12) MHz, B = 1512.699(1) MHz, C = 998.633(1) MHz (rotational constants) and Xaa — — 4.114( 17) MHz, Xbb ~ Xcc= 0.383(34) MHz (14N quadrupole coupling constants). The rotational spectrum of a low lying vibrational state could be also assigned.
منابع مشابه
Molecular Electric Quadrupole Moments, l4N Nuclear Quadrupole Coupling Constants, and 14N Spin-Rotation Coupling Constants; a Microwave Spectroscopic Study Combined with Quantum Chemical Calculations
The zero field 14N-hfs-multiplets and the high-field Zeeman-hfs-multiplets of low-J rotational transitions of the title compounds were observed in a flash pyrolysis setup under high-resolution conditions. From the zero-field hfs patterns the 14N spin-rotation coupling constants and the 14N nuclear quadrupole coupling constants were obtained. From the high-field Zeeman-hfs-multiplets, the diagon...
متن کاملPrecise dipole moments and quadrupole coupling constants of the cis and trans conformers of 3-aminophenol: determination of the absolute conformation.
The rotational constants and the nitrogen nuclear quadrupole coupling constants of cis-3-aminophenol and trans-3-aminophenol are determined using Fourier-transform microwave spectroscopy. We examine several J = 2 <-- 1 and 1 <-- 0 hyperfine-resolved rotational transitions for both conformers. The transitions are fit to a rigid rotor Hamiltonian including nuclear quadrupole coupling to account f...
متن کاملThe rotational spectrum and theoretical study of a dinuclear complex, MnRe(CO)(10).
The first rotational spectrum of a dinuclear complex, MnRe(CO)(10), has been obtained using a high-resolution pulsed beam microwave spectrometer. Sixty-four hyperfine components of the J=11-->J(')=12 and J=12-->J(')=13 rotational transitions were measured for two rhenium isotopomers. The B values obtained from the experiment are B=200.36871(18) MHz for the (187)Re isotopomer and B=200.5561(10) ...
متن کاملRotational spectroscopy and dipole moment of cis-cis HOONO and DOONO.
The rotational spectrum of cis-cis HOONO has been studied over a broad range of frequencies, 13-840 GHz, using pulsed beam Fourier-transform microwave spectroscopy and room-temperature flow cell submillimeter spectroscopy. The rotational spectrum of the deuterated isotopomer, cis-cis DOONO, has been studied over a subset of this range, 84-640 GHz. Improved spectroscopic constants have been dete...
متن کاملMicrowave spectrum and structure of the dimethylamine dimer: Evidence for a cyclic structure
Rotational spectra have been measured for six isotopomers of the dimethylamine dimer using a Fourier-transform microwave spectrometer. No tunneling splittings were observed for either the aor c-type rotational transitions and the spectra could be fit to a rigid rotor Hamiltonian including centrifugal distortion terms. Possible dimer structures are discussed and compared to the experimentally de...
متن کامل