2005
DOI: 10.1002/ange.200462704
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Glory‐Scattering Measurement of Water–Noble‐Gas Interactions: The Birth of the Hydrogen Bond

Abstract: Der Beginn von H‐Brücken in Wasser‐Edelgas‐Komplexen, deren Stärke von He zu Xe ansteigt, wird nach Ab‐initio‐Rechnungen an der zunehmenden Ausrichtung entlang der O‐H‐Bindung deutlich (siehe Bild). Die Stärke der Wechselwirkung, die über die für reine Van‐der‐Waals‐Kräfte erwartete hinausgeht, wurde experimentell durch Molekularstrahlstreuung ermittelt.

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Cited by 7 publications
(9 citation statements)
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“…Most stable geometries appear to occur when the rare gases are in the molecular plane, consistently with previous studies 6,7 and with the analogous complexes of rare gases with H 2 O. 3 However, more than one minimum energy geometry is observed: the smallness of the barriers separating them makes the assignment of the most stable configuration uncertain from the viewpoint of the accuracy of the calculation. This is perhaps not relevant in view of the essential floppiness of these weakly bound systems, when zero point energy effects are taken into consideration.…”
Section: Ab Initio Calculationssupporting
confidence: 86%
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“…Most stable geometries appear to occur when the rare gases are in the molecular plane, consistently with previous studies 6,7 and with the analogous complexes of rare gases with H 2 O. 3 However, more than one minimum energy geometry is observed: the smallness of the barriers separating them makes the assignment of the most stable configuration uncertain from the viewpoint of the accuracy of the calculation. This is perhaps not relevant in view of the essential floppiness of these weakly bound systems, when zero point energy effects are taken into consideration.…”
Section: Ab Initio Calculationssupporting
confidence: 86%
“…Along the Rg series the binding energy increases by a factor of 2, 5.5, and 7 while the distance increases by 10.3%, 16.1%, and 22.2%, in going from He to Kr. Similar trends were observed for the H 2 O -Rg complex, 3 for which the ab initio energies increased by a factor of 2.3, 6.4, and 7.8 and the distances increased by 3% 12%, and 15%.…”
Section: Ab Initio Calculationssupporting
confidence: 77%
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