A comprehensive rotational study of astronomical iso-pentane within 84 to 111 GHz

TL;DR

This study reports the rotational spectra of iso-pentane (C5H12) in the 84-111 GHz range, aiding future astronomical detection efforts in space environments like Sagittarius B2(N).

Contribution

The paper provides the first detailed rotational spectra of iso-pentane in the 84-111 GHz range, supported by quantum chemical calculations and spectral simulations.

Findings

Rotational spectra of iso-pentane are characterized in the 84-111 GHz range.

Spectroscopic parameters were obtained through quantum chemical calculations.

The spectra are suitable for future astronomical detection in space.

Abstract

The rotational line survey by ALMA (Atacama Large Millimeter/submillimeter Array) recently revealed the presence of i-C3H7CN (i-PrCN) and n-C3H7CN (n-PrCN) in 3-mm atmospheric window between 84 to 111 GHz towards the hot core region Sagittarius B2(N) (Sgr B2(N)). This was the first interstellar detection of a linear straight chain molecule. In this light, we report the rotational spectra of C5H12 isomeric group in the same frequency range. We performed quantum chemical calculations for spectroscopic parameters. The pure rotational spectrum of the species has been simulated using the PGOPHER program. The rotational spectrum of this molecule makes it a good candidate for future astronomical detections since the radio lines can be calculated to very high accuracy in mm/sub-mm wave region.