IDEN2 - A program for visual identification of spectral lines and energy levels in optical spectra of atoms and simple molecules
Abstract The article describes a Java program that can be used in a user-friendly way to visually identify spectral lines observed in complex spectra with theoretically predicted transitions between atomic or molecular energy levels. The program arranges various information about spectral lines and energy levels in such a way that line identification and determination of positions of experimentally observed energy levels become much easier tasks that can be solved fast and efficiently. Program summary Program title: IDEN2 Program Files doi: http://dx.doi.org/10.17632/mwr2tk84sw.1 Licensing provisions: GPLv3 Programming language: Java v.1.8 Nature of problem: Line identification problem in atomic and molecular spectra that have a limited number of previously known low-excited energy levels and a large number of unidentified spectral lines (emission or absorption). The line identification consists of finding the lower and upper energy levels of transitions corresponding to each observed spectral line. Solution method: For each energy level (experimentally known or unknown), the list of observed spectral lines is displayed on a wavenumber scale as an image. This image is repeated with certain vertical shifts in several columns corresponding to other levels connected with the investigated one by theoretically predicted transitions. In each such column, the image of the line spectrum is shifted by the value corresponding to the energy of the connecting level. Then the problem of location of an unknown level is reduced to scrolling the screen until several spectral lines in different columns align along the same horizontal line. Various gadgets provide complete information about all pertinent entities, such as the level identities, wavelengths, observed and calculated intensities. Additional comments including restrictions and unusual features: A practical limitation on the size of the problem is imposed by the available RAM, which is typically sufficient to treat spectra with up to 100 000 spectral lines and 10 000 energy levels. The visual appearance of all gadgets, including font sizes, colors, and window sizes and positions, is completely customizable. An extensive Help system and User Guide are included.
High resolution vacuum ultraviolet emission spectrum of D2: The B′Σu+1→XΣg+1 band system
In this work, we have extended our previous high resolution study of the vacuum ultraviolet emission spectrum of the D2 molecule [M. Roudjane, et al. J. Chem. Phys. 125, 214305 (2006)] up to 124.2 nm in order to investigate the B' 1Sigmau+-->X 1Sigmag+ band system. The analysis of the spectrum has been carried out by means of a complex spectrum visual identification code IDEN [V. I. Azarov, Phys. Scr. 44, 528 (1991); 48, 656, (1993)] and supported by theoretical calculations using ab initio data [L. Wolniewicz, J. Chem. Phys. 103, 1792 (1995); 99, 1851 (1993); G. Staszewska and L. Wolniewicz, J. Mol. Spectrosc. 212, 208 (2002); L. Wolniewicz and G. Staszewska, 220, 45 (2003)] which provided level energies and transition probabilities. More than 1480 new emission lines have been observed and 109 bands belonging to the B' 1Sigmau+-->X 1Sigmag+ system have been identified between 84.1 and 121.6 nm. Except for the upsilon'-0 bands that were reported in absorption [I. Dabrowski and G. Herzberg, Can. J. Phys. 52, 1110 (1974)], all the upsilon'-upsilon" bands are reported here for the first time. The analysis led to the determination of 111 rovibronic energy levels in the B' 1Sigmau+ state, of which 31 with higher rotational numbers J are new. Observed perturbations are accounted for through a set of coupled equations involving the four excited electronic states B 1Sigmau+, B' 1Sigmau+, C 1Piu, and D 1Piu and including nonadiabatic couplings. The solution of this set provides the percent contribution of these four states to each of the observed rovibronic level.
Chemical, biological, and immunological characterization of mono- and diiodothyrotropin releasing factor.
Abstract Iodination of thyrotropin releasing factor (TRF) with chloramine-T and NaI at pH 7.5 produces both mono- and diiodo-TRF as well as unreacted TRF and I − . The four compounds can be separated by ion-exchange chromatography on SP-Sephadex C-25, using a stepwise gradient of 0.01 m MH 4 OAc at pH 3.5, 5.2 and 7.2. The monoiodo-TRF was characterized by nuclear magnetic resonance, mass spectra, and elemental analysis as [Im-5-iodo-His 2 ]-TRF while the diiodo-TRF was similarly characterized as [Im-2,5-diiodo-His 2 ]-TRF. Both iodination products showed no thyrotropin releasing activity at doses up to 1 μg in the in vivo mouse bioassay. The specific binding of mono- and diiodo-TRF was measured against three different TRF antisera. In the absence of TRF, antisera A and C bound more diiodo-TRF than monoiodo-TRF while antiserum B seemed to bind both tracers equally. In all cases steeper curves were produced when diiodo-TRF was displaced by synthetic TRF.