COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY (I.5)
Number: 150/19/93
Title: Guidelines for the Presentation of Instrumental
Parameters in Optical and Nuclear Magnetic Resonance Fourier Transform
Spectroscopies
Coordinator(s): J.E.
Bertie (1993-97) and R.K.
Harris (1993-95)
Remarks: Commission V.4
Completion Date: 1997
Objective:
The purpose of this project is to produce lists of those instrument
parameters that need to be reported in any paper that significantly
presents results obtained with Fourier transform spectrometers in
order that the experiments may be duplicated in other laboratories.
One list was to be produced for nuclear magnetic resonance FT spectroscopy
and one for optical FT spectroscopy. The lists are intended to be
useful to authors and to journal editors, which means that extensive
consultation is required to ensure that each list includes the essential
parameters yet remains sufficiently short that it will actually be
used.
Progress:
The NMR part was transferred to project 150/22/95
> Recommendations ref. Pure
Appl. Chem.,
69(12), 2489-2495, 1997 .
Full text reprinted in Magnetic Resonance in Chemistry 36,
145-149 (1998) and Solid State Nuclear Magnetic Resonance 10,
111-116 (1998); Synopsis and link to the IUPAC web site published
in J. Magn. Resonance 145, 160 (2000).
The final report concerning optical Fourier transform
spectroscopy has been published as: Specification
of Components, Methods and Parameters in Fourier transform spectroscopy
by Michelson and Related Inteferometers, John E. Bertie, Pure
and Applied Chemistry 70, 2039-2045 (1998). Three lists
are presented in the final report, one for absorption spectroscopy
under modest resolution, one for absorption spectroscopy under very
high resolution, and one for Raman spectroscopy under modest resolution.
The paper is in the final stages of appearing on our web site. To
fulfil part of its purpose, the paper has been sent to many journal
editors to ask if they would reprint it or send it to their referees
and authors. Several journals have indicated their interest. Specifically
Applied Spectroscopy and the Australian Journal of Chemistry
have stated their intent to reprint the article. [reprinted in Australian
Journal of Chemistry, 52, 1-5 (1999)] The Journal of Molecular
Spectroscopy has indicated interest in including on its web site
a statement of the existence of the document with a hyperlink to the
IUPAC web site <http://www.iupac.org/recommendations/1998/7010bertie/>.
Project completed - report reference: Pure
Appl. Chem.,
70(10), 2039-2045, 1998.