Search results for "clathrate"
showing 10 items of 233 documents
CCDC 777752: Experimental Crystal Structure Determination
2011
Related Article: Yuhui Kou, Hongqi Tao, Derong Cao, Zhiyong Fu, D.Schollmeyer, H.Meier|2010|Eur.J.Org.Chem.|2010|6464|doi:10.1002/ejoc.201000718
CCDC 777751: Experimental Crystal Structure Determination
2011
Related Article: Yuhui Kou, Hongqi Tao, Derong Cao, Zhiyong Fu, D.Schollmeyer, H.Meier|2010|Eur.J.Org.Chem.|2010|6464|doi:10.1002/ejoc.201000718
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
Martian zeolites as a source of atmospheric methane
2016
The origin of the martian methane is still poorly understood. A plausible explanation is that methane could have been produced either by hydrothermal alteration of basaltic crust or by serpentinization of ultramafic rocks producing hydrogen and reducing crustal carbon into methane. Once formed, methane storage on Mars is commonly associated with the presence of hidden clathrate reservoirs. Here, we alternatively suggest that chabazite and clinoptilolite, which belong to the family of zeolites, may form a plausible storage reservoir of methane in the martian subsurface. Because of the existence of many volcanic terrains, zeolites are expected to be widespread on Mars and their Global Equival…
Properties of methyl radical trapped in amorphous SiO2 and in natural SiO2-clathrate Melanophlogite
2013
Abstract We report an experimental investigation by electron paramagnetic resonance (EPR) on methyl radical (CH3 ) observed in γ-ray irradiated high-purity amorphous silicon dioxide (a-SiO2) and in a polycrystalline sample of Melanophlogite, a rare natural form of SiO2-clathrate. From the analysis of the EPR spectra we estimate the correlation time of the hindered rotational motion of CH3 molecules at T = 77 K in the two different materials. This physical quantity gives a quantitative measure of the freedom of motion of CH3 molecules trapped in the two solid systems, putting forward relevant information on the properties of the cavities/interstices in which the radicals are confined. In par…
Semiconducting Clathrates Meet Gas Hydrates: Xe24[Sn136]
2014
Semiconducting Group 14 clathrates are inorganic host–guest materials with a close structural relationship to gas hydrates. Here we utilize this inherent structural relationship to derive a new class of porous semiconductor materials: noble gas filled Group 14 clathrates (Ngx[M136], Ng=Ar, Kr, Xe and M=Si, Ge, Sn). We have carried out high-level quantum chemical studies using periodic Local-MP2 (LMP2) and dispersion-corrected density functional methods (DFT-B3LYP-D3) to properly describe the dispersive host–guest interactions. The adsorption of noble gas atoms within clathrate-II framework turned out to be energetically clearly favorable for several host–guest systems. For the energetically…