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Gushchin P.V.,Saint Petersburg State University | Kuznetsov M.L.,University of Lisbon | Haukka M.,University of Jyvaaskylaa | Kukushkin V.Y.,Saint Petersburg State University
Journal of Physical Chemistry A | Year: 2014

The cationic (1,3,5-triazapentadiene)PtII complexes [1](Cl)2, [2](Cl)2, [3](Br)2, and [4](Cl)2, were crystallized from ROH-containing systems (R = Me, Et) providing alcohol solvates studied by X-ray diffraction. In the crystal structures of [1-4][(Hal)2(ROH)2] (R = Me, Et), the Hal- ion interacts with two or three cations [1-4]2+ by means of two or three or four contacts thus uniting stacked arrays of complexes into the layers. The solvated MeOH or EtOH molecules occupy vacant space, giving contacts with [1-4]2+, and connects to the Hal- ion through a hydrogen bridge via the H(1O)O(1S) H atom forming, by means of the Hal-···HOR (Hal = Cl, Br) contact, the halide-alcohol cluster. Properties of the Cl-···HO(Me) H-bond in [1][(Cl)2(MeOH)2] were analyzed using theoretical DFT methods. © 2014 American Chemical Society.

Hulkko E.,University of Jyvaaskylaa | Lindgren J.,University of Jyvaaskylaa | Kiljunen T.,University of Jyvaaskylaa | Pettersson M.,University of Jyvaaskylaa
Journal of Physical Chemistry Letters | Year: 2012

Our study of B→X absorption of molecular iodine (I2) isolated in a low-temperature crystalline xenon has revealed an exceptionally long-lived electronic coherence in condensed phase conditions. The visible absorption spectrum shows prominent vibronic structure in the form of zero-phonon lines (ZPLs) and phonon side bands (PSBs). The resolved spectrum implies weak interaction of the chromophore to the lattice degrees of freedom. The coherence extends past the vibrational period of the excited state molecule, unlike that observed in any condensed phase environment for I2 so far. The ZP transitions from the relaxing B-state populations were resolved in the hot luminescence when the 532 nm laser was used for excitation. © 2012 American Chemical Society.

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