|Molecule Types Linear Molecules Samples
N2.pgo simulates many bands of the B3Πg - A3Σ+u, B'3Σ−u - B3Πg and W3Δu - B3Πg electronic transitions, commonly seen in emission in discharges. It provides a good example of a file containing multiple electronic states, and the file is set up to simulate fluorescence; see Emission Spectra for how this is set up. It also makes use of a Custom Population Function; as supplied there are two rotational temperatures, one set in the normal way and the other set in the Variables object. A separate vibrational temperature, Tvib is set in the Simulation object. Note that some constants for some of the bands are based on extrapolated values.
based on the work described in "
The spectrum of N2 from 4500 to 15700 cm−1
revisited with PGOPHER", Colin M. Western, Luke
Carter-Blatchford, Patrick Crozet, Amanda J. Ross,
Jérôme Morville and Dennis Tokaryk, Journal
of Quantitative Spectroscopy and Radiative Transfer, 219
127-141 (2018) doi:10.1016/j.jqsrt.2018.07.017.
See also the supplementary data with the same title in the
University of Bristol repository, doi:10.5523/bris.1u7h3szdcpk5r2dfa1hao9o2u1,
which contains the spectra and files used in the preparation
The overall structure of the file is a g Manifold containing all the B3Πg vibrational states, and a u Manifold containing all the A3Σ+u, B'3Σ−u and W3Δu vibrational states, and a <g|mu|u> Transition Moments object containing the transition moments linking the states. See the collapsed and expanded views below.