Heterogeneous Clusters of Phthalocyanine and Water Prepared and Probed in Superfluid Helium Nanodroplets

Fischer, J. and Schlaghaufer, F. and Lottner, E. -M. and Slenczka, A. and Christiansen, L. and Stapelfeldt, H. and Karra, M. and Friedrich, B. and Mullan, Th. and Schuetz, M. and Usvyat, D. (2019) Heterogeneous Clusters of Phthalocyanine and Water Prepared and Probed in Superfluid Helium Nanodroplets. JOURNAL OF PHYSICAL CHEMISTRY A, 123 (46). pp. 10057-10064. ISSN 1089-5639, 1520-5215

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Abstract

Superfluid helium nanodroplets comprised of thousands to millions of helium atoms can serve as a reactor for the synthesis of heterogeneous molecular clusters at cryogenic conditions. The cluster synthesis occurs via consecutive pick-up of the cluster building blocks by the helium droplet and their subsequent coalescence within the droplet. The effective collision cross section of the building blocks is determined by the helium droplet size and thus exceeds by orders of magnitude that of a reactive collision in the gas phase. Moreover, the cryogenic helium environment (at 0.38 K) as a host promotes the formation of metastable cluster configurations. The question arises as to the extent of the actual involvement of the helium environment in the cluster formation. The present study deals with clusters of single phthalocyanine (Pc) molecules with single water molecules. A large fluorophore such as Pc offers several sites where the water molecule can attach. The resulting isomeric variants of the Pc-H2O complex can be selectively identified by electronic spectroscopy. We compare the experimental electronic spectra of the Pc-H2O complex generated in superfluid helium nanodroplets with the results of quantum-chemical calculations on the same cluster but under gas-phase conditions. The number of isomeric variants observed in the helium droplet experiment comes out the same as that obtained from our gas-phase calculations.

Item Type: Article
Uncontrolled Keywords: INDUCED FLUORESCENCE SPECTROSCOPY; SINGLE SF6 MOLECULES; DER-WAALS COMPLEXES; LIQUID-HELIUM; INFRARED-SPECTROSCOPY; TETRACENE; SPECTRA; DROPLETS; PENTACENE; ATOMS;
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Alkwin Slenczka
Depositing User: Dr. Gernot Deinzer
Date Deposited: 25 Mar 2020 06:18
Last Modified: 06 Apr 2020 05:54
URI: https://pred.uni-regensburg.de/id/eprint/25812

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