Anharmonicity of the hydrogen-stretching vibration in H-bonds

✍ Scribed by Y. Marechal

• Publisher: Elsevier Science
• Year: 1972
• Tongue: English
• Weight: 435 KB
• Volume: 13
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(72)85050-4

✦ Synopsis

these two theories are.riot exclusive, but'ratber &&. One of the most char&&stid features of the hydrogen-bond X-H.. .Y is the high anharmonic/ty of the stretching vibration vX_H,W,Y of the H atom in this bond [I] . As a consequence of this anharrnonicity the c&responding infrared spectrum of the vX_H...Y vibration is broad, with a well defined structure [ 1,2] _ Thkre are two theoretical approaches to explain this kind, df spectrum. The first [l, 31 supposes that yxia___~ is coupIed with binary combinations of vibrationsnr the radical X; through Fermi resonance. These latter vibrations have frequencies which are n&rly et&al to half the valub of thk frequency of-the vx__n Y vibration (fJ 3000 cm-l). The &SttmCe of such vibrations has been experimentally verified [4] , ho%evkr? no intensities of the different lines which cotipose the ti~_,~;._~, band have yet been calculated .and compareh with the experiqental spectrum. The