Size-Resolved Infrared Spectroscopic Study of Structural Transitions in Sodium-Doped (H2O)(n) Clusters Containing 10-100 Water Molecules
2015 | journal article. A publication with affiliation to the University of Göttingen.
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Size-Resolved Infrared Spectroscopic Study of Structural Transitions in Sodium-Doped (H2O)(n) Clusters Containing 10-100 Water Molecules
Zurheide, F.; Dierking, C. W.; Pradzynski, C. C.; Forck, R. M.; Flueggen, F.; Buck, U. & Zeuch, T. (2015)
The Journal of Physical Chemistry A, 119(11) pp. 2709-2720. DOI: https://doi.org/10.1021/jp509883m
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- Authors
- Zurheide, Florian; Dierking, Christoph W.; Pradzynski, Christoph C.; Forck, Richard M.; Flueggen, Florian; Buck, Udo; Zeuch, Thomas
- Abstract
- In water clusters containing, 10-100 Water molecules the structural transition takes place between "all surface" structures without internally solvated water molecules to amorphous water clusters with a three dimensionally structured interior. This structural evolution is explored with rigorous size selection by IR excitation modulated photoionization spectroscopy of sodium-doped (H2O)(n) clusters. The emergence of fully coordinated interior water inolecules is observed by an increased relative absorption froth 3200 to 3400 cm(-1) in agreement with theoretical predictions and earlier experimental studies. The analysis has also shown that the intermediate-sized water clusters (n = 40-65) do not smoothly link the structures in the largest and smallest analyzed size regions (n = 15-35 and n = 100-150) in line with previous reports suggesting the appearance of exceptionally stable water cluster isomers at n = 51, 53, 55, and 57. In the size range from n = 49 to n = 55 a reduced ion yield, a plateau in the total IR signal gain and signatures in the distribution of free OH stretch oscillator absorption have been observed. Recently reported putative global minima structures for n = 51 and n = 54 point to the presence of periplanar interior rings in odd-numbered clusters in this size range, which may affect cluster (surface) stability and the shape of the free OH stretch absorption peak. Potential links between pure and sodium-doped water cluster structures and the signatures of solvated electrons in photoelectron spectra of anionic water clusters are discussed.
- Issue Date
- 2015
- Status
- published
- Publisher
- Amer Chemical Soc
- Journal
- The Journal of Physical Chemistry A
- ISSN
- 1089-5639
- Sponsor
- Deutsche Forschungsgemeinschaft (GRK 782) [ZE 890-1-1/2]