Search results for " clathrate"
showing 10 items of 208 documents
CCDC 689511: Experimental Crystal Structure Determination
2009
Related Article: A.Bogdan, M.Bolte, V.Bohmer|2008|Chem.-Eur.J.|14|8514|doi:10.1002/chem.200801268
CCDC 1912382: Experimental Crystal Structure Determination
2019
Related Article: Javier Pitarch-Jarque, Kari Rissanen, Santiago García-Granda, Alberto Lopera, M. Paz Clares, Enrique García-España, Salvador Blasco|2019|New J.Chem.|43|18915|doi:10.1039/C9NJ05231C
CCDC 152579: Experimental Crystal Structure Determination
2001
Related Article: M.J.Krische, J.-M.Lehn, N.Kyritsakas, J.Fischer, E.K.Wegelius, K.Rissanen|2000|Tetrahedron|56|6701|doi:10.1016/S0040-4020(00)00489-0
Ab initio computational study on the lattice thermal conductivity of Zintl clathrates [Si19P4]Cl4 and Na4[Al4Si19]
2016
The lattice thermal conductivity of silicon clathrate framework Si23 and two Zintl clathrates, [Si19P4]Cl4 and Na4[Al4Si19], is investigated by using an iterative solution of the linearized Boltzmann transport equation in conjunction with ab initio lattice dynamical techniques. At 300 K, the lattice thermal conductivities for Si23, [Si19P4]Cl4, and Na4[Al4Si19] were found to be 43 W/(m K), 25 W/(m K), and 2 W/(m K), respectively. In the case of Na4[Al4Si19], the order-of-magnitude reduction in the lattice thermal conductivity was found to be mostly due to relaxation times and group velocities differing from Si23 and [Si19P4]Cl4. The difference in the relaxation times and group velocities ar…
CCDC 1450587: Experimental Crystal Structure Determination
2016
Related Article: Rakesh Puttreddy, Ngong Kodiah Beyeh, Kari Rissanen|2016|CrystEngComm|18|4971|doi:10.1039/C6CE00240D
CCDC 127933: Experimental Crystal Structure Determination
2001
Related Article: S.Kiviniemi, M.Nissinen, M.T.Lamsa, J.Jalonen, K.Rissanen, J.Pursiainen|2000|New J.Chem.|24|47|doi:10.1039/a907608e
CCDC 104283: Experimental Crystal Structure Determination
1997
Related Article: J.Ratilainen, K.Airola, M.Nieger, M.Bohme, J.Huuskonen, K.Rissanen|1997|Chem.-Eur.J.|3|749|doi:10.1002/chem.19970030515
Isolation of the CH3˙ rotor in a thermally stable inert matrix: first characterization of the gradual transition from classical to quantum behaviour …
2014
International audience; Matrix isolation is a method which plays a key role in isolating and characterizing highly reactive molecularradicals. However, the isolation matrices, usually composed of noble gases or small diamagnetic molecules,are stable only at very low temperatures, as they begin to desegregate even above a few tens of Kelvin.Here we report on the successful isolation of CH3 radicals in the cages of a nearly inert clathrate–SiO2matrix. This host is found to exhibit a comparable inertness with respect to that of most conventionalnoble gas matrices but it is characterized by a peculiar thermal stability. The latter property is related to thecovalent nature of the host material a…
Epitaxial Thin-Film vs Single Crystal Growth of 2D Hofmann-Type Iron(II) Materials: A Comparative Assessment of their Bi-Stable Spin Crossover Proper…
2020
Integration of the ON-OFF cooperative spin crossover (SCO) properties of FeII coordination polymers as components of electronic and/or spintronic devices is currently an area of great interest for potential applications. This requires the selection and growth of thin films of the appropriate material onto selected substrates. In this context, two new series of cooperative SCO two-dimensional FeII coordination polymers of the Hofmann-type formulated {FeII(Pym)2[MII(CN)4]·xH2O}n and {FeII(Isoq)2[MII(CN)4]}n (Pym = pyrimidine, Isoq = isoquinoline; MII = Ni, Pd, Pt) have been synthesized, characterized, and the corresponding Pt derivatives selected for fabrication of thin films by liquid-phase …
Ab initio studies on the lattice thermal conductivity of silicon clathrate frameworks II and VIII
2016
The lattice thermal conductivities of silicon clathrate frameworks II and VIII are investigated by using ab initio lattice dynamics and iterative solution of the linearized Boltzmann transport equation(BTE) for phonons. Within the temperature range 100-350 K, the clathrate structures II and VIII were found to have lower lattice thermal conductivity values than silicon diamond structure (d-Si) by factors of 1/2 and 1/5, respectively. The main reason for the lower lattice thermal conductivity of the clathrate structure II in comparison to d-Si was found to be the harmonic phonon spectra, while in the case of the clathrate structure VIII, the difference is mainly due to the harmonic phonon spe…