Can the nonlinearity of hydrogen bonds B…HX be measured precisely? A method from rotational spectroscopy and its application to 2,5-dihydrofuran…HCl
✍ Scribed by A.C. Legon; Joanna C. Thorn
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 612 KB
- Volume
- 227
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Rotational constants, centrifugal distortion constants and the complete Cl-nuclear quadrupole coupling tensor referring to the principal inertial axis system have been determined for the ground state of 2,Sdihydrofuran...HCl from its rotational spectrum. The complex has C, symmetry, with the hydrogen bond completing a pyramidal arrangement at the oxygen atom of 2,Sdihydrofuran. The coupling tensor allows a good approximation to the equilibrium angle (Y, between the HCl( z) axis and the a axis, and thence the nonlinearity & 9.5" of the hydrogen bond, to be determined. The results are rationalised in terms of a refinement of a simple model of the hydrogen bond.