ExoMol line lists -- {XLVI}: Empirical rovibronic spectra of silicon mononitrate (SiN) covering the 6 lowest electronic states and 4 isotopologues

TL;DR

This paper presents comprehensive empirical rovibronic spectra line lists for silicon mononitride (SiN), covering six electronic states and four isotopologues, derived from experimental data and high-level quantum calculations, useful for astrophysical and laboratory applications.

Contribution

The study provides the first extensive empirical line lists for SiN, combining experimental energy levels with ab initio calculations to refine spectral data across multiple electronic states and isotopologues.

Findings

Line lists cover infrared, visible, and ultraviolet regions.

Refined potential energy and coupling curves based on experimental data.

Comparison with observed spectra and lifetimes validates the line lists.

Abstract

Silicon mononitride ($^{28}$Si$^{14}$N, $^{29}$Si$^{14}$N, $^{30}$Si$^{14}$N, $^{28}$Si$^{15}$N) line lists covering infrared, visible and ultraviolet regions are presented. The \name\ line lists produced by ExoMol include rovibronic transitions between six electronic states: \XS, \AS, \BS, \DS, \asi, \bsi. The \ai\ potential energy and coupling curves, computed at the multireference configuration interaction (MRCI/aug-cc-pVQZ) level of theory, are refined for the observed states by fitting their analytical representations to 1052 experimentally derived SiN energy levels determined from rovibronic bands belonging to the $X$--$X$, $A$--$X$ and $B$--$X$ electronic systems through the MARVEL procedure. The SiNful line lists are compared to previously observed spectra, recorded and calculated lifetimes, and previously calculated partition functions. SiNful is available via the \url{www.exomol.com} database.