scholarly journals Understanding the packing in the 1 : 1 molecular complex 1,3,5-tricyanobenzene–hexamethylbenzene by probing lattice modes

CrystEngComm ◽  
2015 ◽  
Vol 17 (20) ◽  
pp. 3787-3792 ◽  
Author(s):  
John A. Stride
Keyword(s):  
Neutron Scattering ◽  
Intermolecular Interactions ◽  
Molecular Complex ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Text Book ◽  
Lattice Modes

Inelastic neutron scattering is used to directly probe the effect of intermolecular interactions in the text-book co-crystal hexamethylbenzene : tricyanobenzene.

scholarly journals Drug Guest Molecules as Modulators During One-Step Mechanochemical Encapsulation in MIL-100 (Fe) Framework

2020 ◽  
Author(s):  
Barbara Souza ◽  
Annika Moslein ◽  
Kirill Titov ◽  
James D. Taylor ◽  
Svemir Rudic ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Intermolecular Interactions ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
One Pot ◽  
Guest Molecules ◽  
Host Interaction ◽  
One Step

<p>We propose a facile one-pot mechanochemical strategy for the encapsulation of drug guest molecules (e.g. 5‑fluorouracil, caffeine, and aspirin) in MIL-100 (Fe) as the porous host framework. We reveal the modulating effect of 5-FU and caffeine, giving highly crystalline MIL‑100 (Fe), whereas aspirin led to the formation of an amorphous MOF phase. Inelastic neutron scattering (INS) was used to probe the intermolecular interactions underpinning the drug@MIL‑100 assemblies, where strong guest-host interaction was achieved <i>via</i> this eco-friendly approach.</p>

Inelastic neutron scattering from low-frequency (00q) longitudinal lattice modes in graphite-SbCl5intercalation compounds

1984 ◽  
Vol 29 (4) ◽  
pp. 2138-2141 ◽  
Author(s):  
P. C. Eklund ◽  
V. Yeh ◽  
H. G. Smith ◽  
R. Nicklow ◽  
R. Al-Jishi ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Low Frequency ◽  
Inelastic Neutron ◽  
Lattice Modes

scholarly journals Drug Guest Molecules as Modulators During One-Step Mechanochemical Encapsulation in MIL-100 (Fe) Framework

2020 ◽  
Author(s):  
Barbara Souza ◽  
Annika Moslein ◽  
Kirill Titov ◽  
James D. Taylor ◽  
Svemir Rudic ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Intermolecular Interactions ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
One Pot ◽  
Guest Molecules ◽  
Host Interaction ◽  
One Step

<p>We propose a facile one-pot mechanochemical strategy for the encapsulation of drug guest molecules (e.g. 5‑fluorouracil, caffeine, and aspirin) in MIL-100 (Fe) as the porous host framework. We reveal the modulating effect of 5-FU and caffeine, giving highly crystalline MIL‑100 (Fe), whereas aspirin led to the formation of an amorphous MOF phase. Inelastic neutron scattering (INS) was used to probe the intermolecular interactions underpinning the drug@MIL‑100 assemblies, where strong guest-host interaction was achieved <i>via</i> this eco-friendly approach.</p>

The lattice modes of CS2 and neutron scattering selection rules

1981 ◽  
Vol 59 (1) ◽  
pp. 122-129 ◽  
Author(s):  
G. S. Pawley ◽  
G. Dolling ◽  
B. M. Powell ◽  
B. H. Torrie
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Theoretical Work ◽  
Inelastic Neutron ◽  
Experimental Conditions ◽  
Selection Rules ◽  
Lattice Mode ◽  
Special Points ◽  
Lattice Modes ◽  
Good Agreement

A very simple model for the lattice dynamics of CS2 is presented. This model is fully stable for a unit cell distorted by no more than 2% from the measured cell and gives good agreement with lattice mode frequencies obtained from optical studies. Coulombic forces appear not to be important for this structure. The molecular motion in modes for all the special points in the Brillouin zone is described through the use of an explicit notation. The group theoretical work of Grout el al. is extended to give the full selection rules for coherent inelastic neutron scattering. These rules show that certain modes can be measured with minimal interference from scattering from modes of different symmetry when certain experimental conditions are adopted, and therefore these rules will be of great use in the neutron scattering studies now in progress.

Lattice modes of hexamethylbenzene studied by inelastic neutron scattering

2005 ◽  
Vol 317 (2-3) ◽  
pp. 143-152 ◽  
Author(s):  
J.A. Stride ◽  
J.M. Adams ◽  
M.R. Johnson
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Lattice Modes

Anomalous vibrational modes in acetanilide as studied by inelastic neutron scattering

1992 ◽  
Vol 2 (10) ◽  
pp. 1929-1939 ◽  
Author(s):  
Mariette Barthes ◽  
Juegen Eckert ◽  
Susanna W. Johnson ◽  
Jacques Moret ◽  
Basil I. Swanson ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Vibrational Modes
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