|
| << vorige | volgende >> |
Tijdschrift beschrijving
Alle jaargangen van het bijbehorende tijdschrift
Alle afleveringen van het bijbehorende jaargang
Alle artikelen van de bijbehorende aflevering
Details van artikel 37 van 72 gevonden artikelen
| Titel: |
Microwave spectra and structure of an isoxazole-water complex |
| Auteur: |
McGLONE, S. MORESCHINI, P. HA, T.-K. BAUDER, A. |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 99 (2001) nr. 16 pagina's 1353-1364 |
| Jaar: |
2001-08-20 |
| Inhoud: |
The rotational spectrum of a hydrogen-bonded isoxazole-water complex has been measured between 6-18 GHz with a pulsed nozzle Fourier transform microwave spectrometer. In addition to isoxazole-H2O, the complexes with HDO and D2O as well as isoxazole-15 N-H2O have been investigated in order to determine the structure of the complex. Rotational constants, quartic centrifugal distortion constants and quadrupole coupling constants, where applicable, have been fitted to the measured transition frequencies of the isotopomers. Structural data, which have been deduced from the planar moments of inertia and the quadrupole coupling constants of the isotopomers, have established conclusively that water binds to nitrogen in the ring plane of isoxazole. Ab initio calculations have revealed that complexes with a hydrogen-bond to nitrogen or to oxygen are both stable. The complex with water attached to nitrogen has been found to be more strongly bound than that with water attached to oxygen. Small splittings of the rotational transitions of the two complexes with H2O have been interpreted as being the result of an internal rotation of water with respect to isoxazole. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 37 van 72 gevonden artikelen
| << vorige | volgende >> |