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Publikācija: Isotope Effect on Metal-Insulator Transition of (EDO-TTF)2XF6(X=P

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Publikācijas valoda English (en)
Nosaukums oriģinālvalodā Isotope Effect on Metal-Insulator Transition of (EDO-TTF)2XF6(X=P,As) with Multi-Instability of Metallic State
Pētniecības nozare 1. Dabaszinātnes
Pētniecības apakšnozare 1.4. Ķīmija
Autori Y. Nakano
Kārlis Balodis
H. Yamochi
G. Saito
M. Uruichi
K. Yakushi
Atslēgas vārdi Molecular conductor; Metal–insulator transition; Isotope effect;Vibrational spectrum; Normal-mode analysis; Density functional theory
Anotācija The partially deuterated 4,5-ethylenedioxy-tetrathiafulvalene-d2 (EDO-TTF-d2) was synthesized from the undeuterated EDO-TTF-d0. The single crystals of (EDO-TTF-d2)2XF6 (X = P, As) were prepared by the conventional electrocrystallization technique. The deuterium contents of EDO-TTF-d2 itself and the radical cation salts were 99% D by mass spectral analysis. The magnetic susceptibility measurement revealed that (EDO-TTF-d2)2XF6 undergoes a metal–insulator transition at 2–3 K higher temperature than the undeuterated salts. In infrared and Raman spectra, significant isotope shifts were observed not only on C–H vibrational modes but also on TTF-skeletal modes. The assignment of experimental bands was performed on the basis of normal-mode analysis at B3LYP/6-31G(d,p) level of theory.
DOI: 10.1016/j.solidstatesciences.2008.01.020
Hipersaite: http://www.sciencedirect.com/science/article/pii/S1293255808000332 
Atsauce Nakano, Y., Balodis, K., Yamochi, H., Saito, G., Uruichi, M., Yakushi, K. Isotope Effect on Metal-Insulator Transition of (EDO-TTF)2XF6(X=P,As) with Multi-Instability of Metallic State. Solid State Sciences, 2008, Vol.10, Iss.12, 1780.-1785.lpp. ISSN 1293-2558. Pieejams: doi:10.1016/j.solidstatesciences.2008.01.020
ID 4727