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| Titel: |
The structure of carbodiimide, HNCNH |
| Auteur: |
JABS, WOLFGANG WINNEWISSER, MANFRED BELOV, SERGEI P. LEWEN, FRANK MAIWALD, FRANK WINNEWISSER, GISBERT |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 97 (1999) nr. 1-2 pagina's 213-238 |
| Jaar: |
1999-07-20 |
| Inhoud: |
An experimentally determined rs-type structure of HNCNH is reported: rNH = 1.0074 Å, rCN = 1.2242 Å, ∠HNC = 118.63°, ∠NCN = 170.63°, ∠HN ··· NH = 88.99°. The number of digits quoted allow for errors with two significant figures. In order to obtain these values we recorded rotational—torsional spectra of HN13CNH, H15NC15NH and DNCND, by using isotopically enriched cyanamide. A chemical equilibrium exists between carbodiimide, HNCNH, and the more stable isomer cyanamide, H2NCN, which strongly favours cyanamide (approximately 1:115 at 110 °C). The expensive C- and N-substituted isotopomers could only be investigated in the millimetre wave region, while for DNCND the far infrared spectrum between 10-350 cm-1 was also recorded. Rotational constants of the three isotopomers, as well as of the parent species, were determined by fitting the assigned spectral transitions to the Watson Hamiltonian in S reduction. Using fitting programs written by Schwendeman and Rudolph, ro, rs and rρm structures of HNCNH were derived. The experimentally determined structural parameters are compared with an ab initio re structure. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 59 van 66 gevonden artikelen
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