Institut für Physikalische Chemie

Lehrstuhl für Molekülspektroskopie und Nanosysteme
Professor Karl Kleinermanns Research Group

Molecular Clusters and Solvation

Molecular solvation by hydrogen bonding and proton transfer dynamics are a main focus of our research in the last years. Clusters of phenol with water and several other solvents are studied in supersonic jets with both size and conformation selectivity. Goal is the study of the hydrogen bond in microscopic water networks and the solvent interaction with the phenol OH group and the aromatic ring. Up to now we were able to detect and analyze vibronic spectra of phenol/water clusters up to 12 water molecules.

Phenol(H2O)7 Phenol(H2O)8 I Phenol(H2O)8 II
Phenol(H2O)7
Phenol(H2O)8 I
Phenol(H2O)8 II

We found (ice) cube like structures with multiples of (H2O)4 rings especially stable.

Our special aim is the study of the intermolecular vibrations and of the OH- and NH-stretch vibrations in the S0, S1, and ionic ground state of the cluster. These vibrations are especially sensitive to the hydrogen bond potential.

Clusters of Di- and Trihydroxyaromatics and aromatics containing Nitrogen are other important topics of our work.

Selected publications

K. Kleinermanns, M. Gerhards, M. Schmitt,
"invited aspects and topics" article,
Electronic Spectroscopy of Aromatic Molecules in Jet-Cooled Hydrogen Bonded Clusters - Structure and Fluxionality Ber. Bunsenges. Phys. Chem. 101 (1997) 1785

M. Schmitt, Ch. Jacoby, K. Kleinermanns, Torsional splitting of the intermolecular vibrations of phenol(H2O)1 and its deuterated isotopomers J. Chem. Phys. 108 (1998) 4486

Ch. Jacoby, W. Roth, M. Schmitt, Ch. Janzen, D. Spangenberg, K. Kleinermanns, Intermolecular vibrations of phenol(H2O)2-5 and d1-phenol(D2O)2-5 studied by UV-double resonance spectroscopy and ab initio theory
accepted for publication in J. Phys. Chem. A

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