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Pure Appl. Chem., Vol. 70, No. 10, pp. 2039-2045, 1998

PHYSICAL CHEMISTRY DIVISION

COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY*

Specification of Components, Methods and Parameters in Fourier Transform Spectroscopy by Michelson and Related Interferometers

(Technical Report)

Introduction

The purpose of this project is to provide a short list of components, methods and parameters that should be reported in papers which focus on spectra recorded on Fourier transform spectrometers. The intention is to distribute the list to journal editors with the request that they make it available to authors and referees of such papers, to facilitate their task of ensuring that all relevant information is reported.

It should be noted that most scientists agree that, in addition to adequate specification of the components, methods and parameters used, such papers should include at least one figure that shows a typical spectrum obtained during the work, or a typical portion of a such a spectrum.

Two requirements emerged during the course of the work.

First, it became clear that three separate lists are needed. One list is for spectroscopy at modest resolution, which here means roughly 0.25 cm-1 to 8 cm-1 resolution, and one list is for spectroscopy at high resolution, which here means a resolution of 0.01 cm-1 or better. The uncovered resolution region, 0.01 to 0.25 cm-1 is less commonly used, and the list that is most appropriate to the particular instrument and work should be used. The third list is for Raman spectroscopy at modest resolution.

Second, it is desired that the lists should be sufficiently extensive to be scientifically helpful but sufficiently short that authors will actually use them. In principle the instrument manuals supplied by the manufacturer are available and, thus, the description of the instrument, with its default components, methods and parameters, is available for each instrument. In practice this information is rarely in the open literature and usually is not available to people who do not have the particular instrument. Equally, it is rarely available five or ten years after the instrument is introduced. There are, however, enough similarities between different instruments to allow the length of the lists for modest resolution to be reduced slightly by defining a set of assumptions or default components, methods and parameters that apply to the majority of cases at the present time.

Accordingly three lists are presented below. Each list for modest resolution is preceded by the set of assumptions on which it is based. The assumed components, methods and parameters need only be specified when they deviate from those assumption, if the authors who use these lists cite this paper.

The remainder of the paper contains:
list A
for work at modest resolution,
list B
for high resolution studies, and
list C
for Raman spectroscopy.

Lists A and C are accompanied by brief explanatory notes about some of the entries.

The following people have provided valuable guidance in the preparation of these lists: Brenda P. Winnewisser, John W. C. Johns, Peter R. Griffiths, Peter Klaeboe, Jeanette Grasselli Brown, Ad Oskam, John H. van der Maas, Arlan W. Mantz, Ole Faurskov Nielsen, Guy Guelachvili, Robert W. McKellar and Kirk H. Michaelian.

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