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

 

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