Details

Autor(en) / Beteiligte

• Brudermann, Jesko
• Melzer, Mario
• Buck, Udo
• Kazimirski, Jan K.
• Sadlej, Joanna
• Bush, Victoria

Titel

The asymmetric cage structure of (H2O)7 from a combined spectroscopic and computational study

Ist Teil von

• The Journal of chemical physics, 1999-06, Vol.110 (22), p.10649-10652

Erscheinungsjahr

1999

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The vibrational OH stretch spectra have been measured for the size-selected pure water clusters (H2O)7. In contrast to (H2O)n, n=8–10 clusters, which exhibit three distinct bands corresponding to three distinct types of OH bonds, the heptamer spectrum displays seven bands spanning the range from 2935 to 3720 cm−1. Calculations suggest that the spectra originate from two isomers, derived from the S4 octamer cube by removal of either one double donor or one double acceptor water molecule.