Rotational spectroscopy and dipole moment of cis-cis HOONO and DOONO
نویسندگان
چکیده
منابع مشابه
Rotational 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 کاملRotational spectrum of cis-cis HOONO.
The pure rotational spectrum of cis-cis peroxynitrous acid, HOONO, has been observed. Over 220 transitions, sampling states up to J'=67 and Ka'=31, have been fitted with an rms uncertainty of 48.4 kHz. The experimentally determined rotational constants agree well with ab initio values for the cis-cis conformer, a five-membered ring formed by intramolecular hydrogen bonding. The small, positive ...
متن کاملCis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
The weakly bound HOONO product of the OH+NO2+M reaction is studied using the vibrational predissociation that follows excitation of the first OH overtone (2nu1). We observe formation of both cis-cis and trans-perp conformers of HOONO. The trans-perp HOONO 2nu1 band is observed under thermal (223-238 K) conditions at 6971 cm(-1). We assign the previously published (warmer temperature) HOONO spec...
متن کاملRotational Spectrum of cis-HS3D
In our pursuit of understanding the structure of sulfur chain molecules we have extended our investigations on the rotational spectrum of HSSSH [1, 2] to the partially deuterated species HSSSD. The rotational spectrum of HSSSH was found to be dense, and the carrier of the strongest absorption lines assigned at that time was the cis-conformer of HSSSH, displaying a strong c-type spectrum. Since ...
متن کاملRole of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO.
A joint theoretical and experimental investigation is undertaken to study the effects of OH-stretch/HOON torsion coupling and of quantum yield on the previously reported first overtone action spectrum of cis-cis HOONO (peroxynitrous acid). The minimum energy path along the HOON dihedral angle is computed at the coupled cluster singles and doubles with perturbative triples level with correlation...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2006
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2163341