Silver behenate

Silver behenate is a silver salt of the long-chain fatty acid behenic acid. It is a possible low-angle diffraction standard that was characterized using the powder diffraction technique.

Silver behenate

Names
IUPAC name Silver(I) docosanoate
Other names Silver docosanoate; Behenic acid silver salt
Identifiers
CAS Number	2489-05-6
3D model (JSmol)	Interactive image
ChemSpider	144632
ECHA InfoCard	100.017.857
PubChem CID	164971
UNII	N3HP26F3PB
CompTox Dashboard (EPA)	DTXSID6062460
InChI InChI=1S/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1 Key: AQRYNYUOKMNDDV-UHFFFAOYSA-M
SMILES [Ag+].[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC
Properties
Chemical formula	AgC22H43O2
Molar mass	447.2287 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Description

With the National Institute of Standards and Technology's standard reference material silicon as an internal standard, the long spacing of silver behenate was accurately determined from the profile-fitted synchrotron diffraction peaks, with d₀₀₁ = 58.380 (3) Å (5.8380(3) nm). This result was in agreement with that obtained from the CuKα pattern. The profile widths of the silver behenate peaks were found to be consistently larger than those of the silicon peaks, indicating significant line broadening for silver behenate. The average crystallite size along the long-spacing direction of silver behenate was estimated using the Scherrer equation, giving D(avg) = 900 (50) Å (85–95 nm).[1]

Diffraction patterns obtained with 1.54 Å synchrotron and CuKα radiation showed thirteen reflections in the 2θ range from 1.5° to 20.0°, which suggests that the compound is suitable for use as an angle-calibration standard for low-angle diffraction. However, care must be taken if silver behenate is to be used as a peak-profile calibration standard because of line broadening.[2]

References

1. T.N. Blanton, T.C. Huang, H. Toraya, C.R. Hubbard, S.B. Robie, D. Louer, H.E. Gobel, G. Will, R. Gilles and T. Raftery (1995). "JCPDS - International Centre for Diffraction Data round robin study of silver behenate. A possible low-angle X-ray diffraction calibration standard". Powder Diffraction. 10: 91–95. doi:10.1017/S0885715600014421.CS1 maint: multiple names: authors list (link)
2. T.N. Blanton, C.L. Barnes & M. Lelental (2000). "Preparation of silver behenate coatings to provide low- to mid-angle diffraction calibration". J. Appl. Crystallogr. 33: 172–173. doi:10.1107/S0021889899012388.

• F.W. Matthews; G.G. Warren; J.H. Michell (1950). "Derivatives of Fatty Acids - Identification By X-Ray Diffraction Power Patterns". Analytical Chemistry. 22: 514–519. doi:10.1021/ac60040a002.