Structural, optical, and theoretical studies of a thermochromic organic crystal with reversibly variable second harmonic generation

Michel Sliwa (1, 2) , Arnaud Spangenberg (2) , Isabelle Malfant (3) , P.G. Lacroix (3) , Rémi Métivier (2) , Robert Bernard Pansu (2) , Keitaro Nakatani (2)

1 LASIRE - Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516
2 PPSM - Laboratoire de Photophysique et Photochimie Supramoléculaires et Macromoléculaires
3 LCC - Laboratoire de chimie de coordination

N-(3,5-Ditert-butylsalicylidene)-2-aminopyridine (1) exhibits bulk second harmonic generation (SHG) activity (2 vs urea). X-ray diffraction measurements show a non-centrosymmetric structure (P3₂). Experimental data of polarization-dependent SHG match the theoretical calculations on the basis of the crystallographic data. 1 is also thermochromic in the crystalline state, and SHG at 120 K is 4 times as high as at room temperature. Comparison is made with the isostructural isomer, N-(3,5-ditert-butylsalicylidene)-4-aminopyridine (2), which exhibits reversible photoinduced SHG variations.

Domaines: Chimie théorique et/ou physique; Autre

Michel Sliwa, Arnaud Spangenberg, Isabelle Malfant, P.G. Lacroix, Rémi Métivier, et al.. Structural, optical, and theoretical studies of a thermochromic organic crystal with reversibly variable second harmonic generation. Chemistry of Materials, 2008, 20, pp.4062-4068. ⟨10.1021/cm800093a⟩. ⟨hal-00351539⟩