Structures and Encapsulation Motifs of Functional Molecules Probed by Laser Spectroscopic and Theoretical Methods

Autor: Ryoji Kusaka, Yoshiya Inokuchi, Sotiris S. Xantheas, Takayuki Ebata
Jazyk: angličtina
Rok vydání: 2010
Předmět:
Zdroj: Sensors, Vol 10, Iss 4, Pp 3519-3548 (2010)
Druh dokumentu: article
ISSN: 1424-8220
DOI: 10.3390/s100403519
Popis: We report laser spectroscopic and computational studies of host/guest hydration interactions between functional molecules (hosts) and water (guest) in supersonic jets. The examined hosts include dibenzo-18-crown-6-ether (DB18C6), benzo-18-crown-6-ether (B18C6) and calix[4]arene (C4A). The gaseous complexes between the functional molecular hosts and water are generated under jet-cooled conditions. Various laser spectroscopic methods are applied for these species: the electronic spectra are observed by laser-induced fluorescence (LIF), mass-selected resonance enhanced multiphoton ionization (REMPI) and ultraviolet-ultraviolet hole-burning (UV-UV HB) spectroscopy, whereas the vibrational spectra for each individual species are observed by infrared-ultraviolet double resonance (IR-UV DR) spectroscopy. The obained results are analyzed by first principles electronic structure calculations. We discuss the conformations of the host molecules, the structures of the complexes, and key interactions forming the specific complexes.
Databáze: Directory of Open Access Journals