The infrared spectra of pentagonal, hexagonal and heptagonal rings of water molecules: a model study

✍ Scribed by Marek J. Wojcik; Stuart A. Rice

• Book ID: 103026357
• Publisher: Elsevier Science
• Year: 1986
• Tongue: English
• Weight: 231 KB
• Volume: 128
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(86)80388-8

✦ Synopsis

We report calculations of the OH stretching region infrared spectra of five-, six-and seven-membered rings of water molecules. Although there are minor differences between the spectra of different conformations (boat, chair and planar) and of different rings, none are large enough to permit use of infrared spectroscopy to check the ring distributions inferred from computer simulations.