Secondary interactions in weakly bound complexes: A highly nonlinear hydrogen bond in thiirane·HCN established by rotational spectroscopy

✍ Scribed by Jean Cosléou; David G. Lister; A.C. Legon

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 673 KB
• Volume: 231
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)90571-5

✦ Synopsis

The ground-state rotational spectra of two isotopomers, ( CH,fZ3'S+XiJN and fCHz)232S~~.HC'5N, of a complex formed by thiirane with hydrogen cyanide were analysed to give rotational constants, centrifugal distortion constants and "'N-nuclear quadrupole coupling constants. The spectroscopic constants were interpreted in terms of a geometry of the complex characterised by the angle @= 89.2(9)' made by the SH internuclear axis with the thiirane heavy atom plane at S and a nonlinearity 8% 43' of the SH-C hydrogen bond. This large nonlinearity is contrasted with that in (CHz)>O'..HCN and the difference discussed in terms of a simple model of the hydrogen bond.