Structural, infrared, and density functional theory studies of N,N,N',N'-Tetramethylimidazolidinium dichloride: a model for cation-anion association of headgroups and counterions in the interfacial regions of gemini micelles.
Authors of publication
Regler, Brian P.; Emge, Thomas J.; Elliott, James J.; Sauers, Ronald R.; Potenza, Joseph A.; Romsted, Laurence S.
Journal of publication
The journal of physical chemistry. B
Year of publication
2007
Journal volume
111
Journal issue
49
Pages of publication
13668 - 13674
a
8.1775 ± 0.0005 Å
b
11.2472 ± 0.0006 Å
c
11.474 ± 0.0006 Å
α
90°
β
100.745 ± 0.001°
γ
90°
Cell volume
1036.81 ± 0.1 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.0247
Residual factor for significantly intense reflections
0.0223
Weighted residual factors for significantly intense reflections
0.0567
Weighted residual factors for all reflections included in the refinement
0.0578
Goodness-of-fit parameter for all reflections included in the refinement
