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Summary of Requirements for Specification of Chemical Samples

1)      Required information for each chemical sample

a.      IUPAC systematic name [1], [2]

                                                              i.      An abbreviation can be defined for general usage in the text.

                                                            ii.      A tabular summary of sample descriptions is strongly encouraged. Systematic names must be defined there.

                                                          iii.      Figures (drawings) are encouraged for complex molecules

b.      Sample source (commercial company, synthesized, loaned, etc.)

c.       Initial purity, as received by the authors and stated by the supplier

d.      Method of purification

e.      Final purity (i.e., purity of the sample used in the measurements)

                                                              i.       The purity must be expressed as a numerical value: mole fraction or mass fraction.

                                                            ii.      If no impurities were detected, the sensitivity limit of the analytical method must be given.

f.        Analytical method of purity determination

                                                              i.      Comparisons of measured properties with literature values (density, viscosity, etc.) are poor indicators of sample purity and should not be used for this purpose.

                                                            ii.      Analytical methods (chromatography, NMR, etc.) are much preferred.

2)      Table format should be used, whenever practical

a.      Note: Additional details, such as synthesis steps or complex purification processes, can be given in the text, if necessary.

 

Table 1. Example Sample Table


Chemical   Initial Mole Purification Final Mole Analysis
Name Source Fraction Purity Method Fraction Purity Method

heptane Aldrich 0.98 distillation 0.997 GCa
THAb synthesis - recrystallization 0.9998 fractional melting
hydrogen Air Liquide 0.998 none - -

a Gas-liquid chromatography

b THA = 1,2,3,4-tetrahydroanthracene

 



[1] A Guide to IUPAC Nomenclature of Organic Compounds (Recommendations 1993), 1993, Blackwell Scientific publications, Copyright 1993 IUPAC.

[2] Nomenclature of Inorganic Chemistry (IUPAC Recommendations 2005), 2005, RSC Publishing. Available for free download (http://old.iupac.org/publications/books/rbook/Red_Book_2005.pdf).

Last modified: 02 December 2010