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Molecular photochromic systems: a theoretical and experimental investigation on zinc(II) dithizonate (Articolo in rivista)

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Molecular photochromic systems: a theoretical and experimental investigation on zinc(II) dithizonate (Articolo in rivista) (literal)

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1-L. Armelao; 2-G. Bandoli; 1-D. Barreca; 1-G. Bottaro; 4-E. Tondello; 1-A. Venzo; 1-A. Vittadini (2007)
Molecular photochromic systems: a theoretical and experimental investigation on zinc(II) dithizonate
in Applied organometallic chemistry; John Wiley & Sons, Ltd., New York (Stati Uniti d'America)
(literal)

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1-L. Armelao; 2-G. Bandoli; 1-D. Barreca; 1-G. Bottaro; 4-E. Tondello; 1-A. Venzo; 1-A. Vittadini (literal)

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1-ISTM-CNR, Dipartimento di Scienze Chimiche, Universita di Padova, 35131 Padova , I taly 2-Dipartimento di Scienze Farmaceutiche, Universita' di Padova, 35131 Padova, I taly 3-Dipartimento di Scienze Chimiche, Universita' di Padova and INSTM, 35131 Padova , Italy (literal)

Titolo

Molecular photochromic systems: a theoretical and experimental investigation on zinc(II) dithizonate (literal)

Abstract

Zinc(II)-dithizone based molecular systems [Zn(HDz)2] are intriguing candidates for the development of optical devices thanks to their interesting photochromic and nonlinear optical properties. In the present work, the behavior of Zn(HDz)2 in different solvents was investigated by a combined theoretical and experimental approach. In particular, solutions of both dithizone (H2Dz) and Zn(HDz)2 were analyzed by optical absorption spectroscopy and nuclear magnetic resonance (NMR) techniques, with particular attention to structure-properties relationships. Density functional and time-dependent density functional calculations were performed on the stable and the activated forms of the complex, obtaining information on the energetics of their interconversion, as well as on the nature of their electronic excitations. (literal)

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