Electronic and molecular structure of the water dimer cation. A theoretical study

✍ Scribed by Kenji Sato; Shinji Tomoda; Katsumi Kimura; Suehiro Iwata

• Publisher: Elsevier Science
• Year: 1983
• Tongue: English
• Weight: 410 KB
• Volume: 95
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(83)80359-5

✦ Synopsis

From recent He1 photoelectron spectroscopic work on the water dimer in a supersonic nozzle beam, Tomoda et al. [l] reached the following conclusions. (1) The first two photoelectron bands of the water dimer appear with maxima at 12.1 + 0.1 and 13.2 2 0.2 eV, corresponding to the first two vertical ionization energies_ (2) The first photoelectron band is very broad, showing a threshold at 11.1 eV which is regarded as the first adiabatic ionization energy. The threshold energy (11.1 eV) found from the photoelectron spectrum is consistent with that (11.21 eV) obtained by Ng et al_ [I] for