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Project

Physical Chemistry Division (I)

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.

 

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