Details

Autor(en) / Beteiligte

• Janjic, G V
• Milosavljevic, MD
• Veljkovic, D Z
• Zaric, S D

Titel

Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes

Ist Teil von

• Physical chemistry chemical physics : PCCP, 2017, Vol.19 (13), p.8657-8660

Ort / Verlag

England

Erscheinungsjahr

2017

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Intermolecular O-H/M interactions, between a water molecule and square-planar acac complexes ([M(acac)L ]), with different types of L ligands (en, H O, CO, CN , and OH ) and different types of metal atoms (Ir(i), Rh(i), Pt(ii), and Pd(ii)) were studied by high level ab initio calculations. Among the studied neutral complexes, the [Pd(acac)(CN)(CO)] complex forms the weakest interaction, -0.62 kcal mol , while the [Ir(acac)(en)] complex forms the strongest interaction, -9.83 kcal mol , which is remarkably stronger than the conventional hydrogen bond between two water molecules (-4.84 kcal mol ).