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- W2016994687 abstract "Mass-selected two-photon resonant ionization spectra of supersonically cooled p-cresol · (H2O)n are reported. Cluster spectra with n = 1–4 water molecules attached can be unambiguously assigned. The excellent agreement between the experimental curves of cluster densities as function of H2O pressure and the corresponding calculated curves obtained from numerical integration of the master equation system assuming successive cluster formation further subsidizes the cluster size assignment.–The cluster spectra all lie on the red side of the monomer spectrum but exhibit an irregular red and blueshift relative to each other. Simple molecular orbital (HOMO-LUMO) considerations based on ab initio calculations quantitatively show this to be due to the H-bond induced change in the inductive effect of the phenolic O-atom on the π*-π transition. The oxygen atom of p-cresol acts a proton donor in the n = 1 cluster and additionally as proton acceptor in the n = 2 clusters, while the H2O-subunits in the n = 3 and 4 clusters form a cycle. These structures are further substantiated by extensive ab initio calculations and the measured H-bond stretch frequencies in the S0 and S1-state." @default.
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- W2016994687 date "1992-09-01" @default.
- W2016994687 modified "2023-09-23" @default.
- W2016994687 title "Kinetics of Formation and Vibronic Spectroscopy of H-Bonded Clusters in Supersonic Jets" @default.
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- W2016994687 doi "https://doi.org/10.1002/bbpc.19920960948" @default.
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