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First Example of Hydrogen Bonding to Platinum Hydride
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Oleg A. Filippov
Published/Copyright:
June 3, 2013
Abstract
The interaction between various proton donors (indole, CF3CH2OH, (CF3)2CHOH, (CF3)3COH) and (NNC)PtH hydrido complex (NNC-H=6-(1,1'-dimethylbenzyl)-2,2'-bipyridine) was investigated through low-temperature IR and NMR spectroscopy in combination with density functional theory calculations at the M06 level of theory. The experiment shows formation of very weak hydrogen bonded complexes (Δ HºHB ca. -1.0 kcal mol-1), which undergo subsequent proton transfer surprisingly easy. Computational analysis of the hydrogen bonded complexes geometry, electronic parameters (obtained by NBO and AIM analysis), and orbital interaction energies shows that all the complexes are better described as bonded to the metal atom. At that in case of weak alcohols (CH3OH, TFE) there is also the additional interaction with the hydride ligand. These computational results allow explaining the observed experimental trends and give the first example of hydrogen bonding to a metal atom in the presence of hydride ligand.
Keywords: Hydrogen Bond; Transition Metal Hydrides; Spectroscopy; Quantum Chemical Calculations; Atoms in Molecules
Published Online: 2013-6-3
Published in Print: 2013-6-1
© by Oldenbourg Wissenschaftsverlag, München, Germany
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Keywords for this article
Hydrogen Bond;
Transition Metal Hydrides;
Spectroscopy;
Quantum Chemical Calculations;
Atoms in Molecules
Articles in the same Issue
- Editorial
- Biography of Prof. Dr. Hans-Heinrich Limbach
- Alumni and long term guests of the Limbach group
- NMR and FT-IR Studies on the Association of Derivatives of Thymidine, Adenosine, and 6-N-Methyl-Adenosine in Aprotic Solvents
- Competition between Hydrogen Bonds and Lewis Acid-Base Interactions in the Equilibria between Bis(pentafluorophenyl)borinic Acid and Pyridine: Insights from NMR, Diffractometric and Computational Studies
- Energy Analysis of Competing Non-Covalent Interaction in 1:1 and 1:2 Adducts of Collidine with Benzoic Acids by Means of X-Ray Diffraction
- A TT Dinucleotide with a Nonionic Silyl Backbone: Impact on Conformation and H-Bond Mediated Base Pairing as Studied by Low-Temperature NMR
- Oxygen and Hydrogen Isotopic Preference in Hydration Spheres of Chloride and Sulfate Ions
- Ab Initio Study of Cooperative Effects in Complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, Binding Energies, and Spin-Spin Coupling Constants across Intermolecular Bonds
- The Structure and Dynamic Properties of 1H-Pyrazole-4-Carboxylic Acids in the Solid State
- Acridine – a Promising Fluorescence Probe of Non-Covalent Molecular Interactions
- First Example of Hydrogen Bonding to Platinum Hydride
- Interaction of Hydrogen with a Cobalt(0001) Surface
- Immobilization and Characterization of RuCl2(PPh3)3 Mesoporous Silica SBA-3
- Secondary Isotope Effects on 13C and 15N Chemical Shifts of Schiff Bases Revisited
- Analysis of Nutation Patterns in Fourier-Transform NMR of Non-Thermally Polarized Multispin Systems
- The Structure of Supercooled Water and the Mechanism of Homogeneous Nucleation of Ice Ih
- Probing Small Protonated Water Clusters in Acetonitrile Solutions by 1H NMR
- Double Hydrogen Transfer in Low Symmetry Porphycenes
- Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry
