CYBERNETIC REANALYSIS OF THE $S_{2} B^{3}\sum^{-}_{x} -X^{3}\sum^{-}_{5}$ TRANSITION
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Date
1983
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Ohio State University
Abstract
This work preavnts the current status of our on going effort to understand the strong porturbations in disulfur’s $B^{3}$ state and ultimatley to derive deporturbed energy levels of both the B state and the perturbing $P^{\prime\prime}$ $\Pi$ state. The approach taken is the utilization of cybermetics - the of man’s power of pattern recognition and of the computer’s power of numerical manipulation wherein the scientist is the controlling element in the man-machine interrelationship. The cybernotic approach required the generation of a database of all available assigned $S_{2}$ B-X spectral lines (about 10,000 lines from 50 vibrational bands) and the development of graphics-oriented software to support database manipulation and spectral analysis. The reanalysis used both traditional spectroscopic methods (Fortrat diagrams, complete sets of combination relations) and statistical methods (regression, Crubb’s point rejection method) to generate tables and tableaus from which the scientist verifies or corrects rotational analyses. An intermediate result of this analysis is a new database of B^{\prime} $\sum+$- state term values and a three-dimensional plot of $\nu^{\prime}$ versus J^{\prime} versus energy for levels of each parity. The use of relational database management software in spectroscopic problems will also be discussed, and a preliminary deperturbation effort will to presented."" 1. Frank S. Grubbs, ""Procedures for Detecting Outlying Observations in Samples"", Technometrics 11, 1 (1969)
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Author Institution: Chemistry Department, Drexel University