Journal: Journal of the American Chemical Society

Article Title: Direct space methods for powder X-ray diffraction for guest-host materials: applications to cage occupancies and guest distributions in clathrate hydrates.

doi: 10.1021/ja905426e

Figure Lengend Snippet: Figure 2. (a) CO2 molecules (carbon atom, black; oxygen atom, red) in structure I large (51262) and small (512) cage with full symmetry shown. (b) CO2 molecules in CO2 hydrate found in this study and by the single crystal X-ray diffraction (gray) reported by Udachin et al.42 for comparison. On the left is the structure I large cage and on the right is the small (512) cage.

Article Snippet: PXRD measurements were performed on a laboratory X-ray diffractmeter (40 kV, 40 mA; BRUKER model D8 Advance equipped with a solid state detector model LynxEye) in θ/θ step scan mode using Cu KR radiation (λ ) 1.5406 Å) with a step width of 0.01966° in the 2θ range of 5.0-90.0°.

Techniques: Comparison

Journal: Journal of the American Chemical Society

Article Title: Direct space methods for powder X-ray diffraction for guest-host materials: applications to cage occupancies and guest distributions in clathrate hydrates.

doi: 10.1021/ja905426e

Figure Lengend Snippet: Figure 3. (a) C2H6 molecules in the structure I large (51262) and small (512) cages shown with full symmetry. Solid spheres express the virtual chemical species, -CH3, shown M. (b) C2H6 molecules in C2H6 hydrate found in this study (black) and by the single crystal X-ray diffraction (gray) reported by Udachin et al.43 for comparison.

Article Snippet: PXRD measurements were performed on a laboratory X-ray diffractmeter (40 kV, 40 mA; BRUKER model D8 Advance equipped with a solid state detector model LynxEye) in θ/θ step scan mode using Cu KR radiation (λ ) 1.5406 Å) with a step width of 0.01966° in the 2θ range of 5.0-90.0°.

Techniques: Comparison

Journal: Journal of the American Chemical Society

Article Title: Direct space methods for powder X-ray diffraction for guest-host materials: applications to cage occupancies and guest distributions in clathrate hydrates.

doi: 10.1021/ja905426e

Figure Lengend Snippet: Figure 4. (a) C3H8 molecules in structure II large (51264) with full symmetry shown. Solid spheres express the virtual chemical specie, -CH2 and -CH3, shown M. (b) C3H8 molecules in C3H8 hydrate found in this study (black) and by the single crystal X-ray diffraction (gray) reported by Udachin et al.52 for comparison. Only the large (51264) cage of structure II is shown.

Article Snippet: PXRD measurements were performed on a laboratory X-ray diffractmeter (40 kV, 40 mA; BRUKER model D8 Advance equipped with a solid state detector model LynxEye) in θ/θ step scan mode using Cu KR radiation (λ ) 1.5406 Å) with a step width of 0.01966° in the 2θ range of 5.0-90.0°.

Techniques: Comparison

Journal: Journal of the American Chemical Society

Article Title: Direct space methods for powder X-ray diffraction for guest-host materials: applications to cage occupancies and guest distributions in clathrate hydrates.

doi: 10.1021/ja905426e

Figure Lengend Snippet: Figure 5. (a) MCH and CH4 molecules in structure H large (51268), medium (435663), and small (512) cage with full symmetry shown. Solid spheres express the virtual chemical species, -CH2, -CH3, and CH4, shown M. (b) MCH and CH4 molecules in MCH + CH4 hydrate found in this study (black) and by the single crystal X-ray diffraction (gray) reported by Udachin et al.43 for comparison. At the left top is the small (512) cage, on the left bottom is the medium (435663) cage, and on the right is the large (51268) cage of structure H.

Article Snippet: PXRD measurements were performed on a laboratory X-ray diffractmeter (40 kV, 40 mA; BRUKER model D8 Advance equipped with a solid state detector model LynxEye) in θ/θ step scan mode using Cu KR radiation (λ ) 1.5406 Å) with a step width of 0.01966° in the 2θ range of 5.0-90.0°.

Techniques: Comparison