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| Titel: |
Geometry, strength of binding and Br2 charge redistribution in the complex OC ··· Br2 determined by rotational spectroscopy |
| Auteur: |
WACLAWIK, E.R. THUMWOOD, J.M. A. LISTER, D.G. FOWLER, P.W. LEGON, A.C. |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 97 (1999) nr. 1-2 pagina's 159-166 |
| Jaar: |
1999-07-20 |
| Inhoud: |
The ground-state rotational spectra of the six isotopomers 16O12C ··· 79Br79Br, 16O12C ··· 81Br79Br, 16O12C ··· 81Br81Br, 16O12C ··· 79Br81Br, 16O13C ··· 79Br79Br, 16O13C ··· 81Br79Br, were observed by pulsed-nozzle, Fourier-transform microwave spectroscopy. The spectroscopic constants BO, DJ, χaa(Bri), χaa(Bro), Mbb(Bri) and Mbb(Bro), where i = inner and o = outer, were determined for each isotopomer. The complex is linear, with the weak bond between the C atom of CO and Bri. The rotational constants were used to determine the distance r(C ··· Bri) = 3.1058Å and to show that the Br—Br bond lengthens by ∼0.005-0.01Å on complex formation. The intermolecular stretching force constant kσ = 5.0 Nm-1 was obtained from DJ and the Br nuclear quadrupole coupling constants were interpreted to reveal that a fraction δ = 0.02 of an electronic charge is transferred from Bri to Bro when Br2 is subsumed into the complex. Properties of the two series OC ··· XY and H3N ··· XY, where XY = C12, Br2 and BrC1, are compared. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 21 van 66 gevonden artikelen
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