Issue 7, 2019

The rotational spectrum of 15ND. Isotopic-independent Dunham-type analysis of the imidogen radical

Abstract

The rotational spectrum of 15ND in its ground electronic X3Σ state has been observed for the first time. Forty-three hyperfine-structure components belonging to the ground and ν = 1 vibrational states have been recorded with a frequency-modulation millimeter-/submillimeter-wave spectrometer. These new measurements, together with the ones available for the other isotopologues NH, ND, and 15NH, have been simultaneously analysed using the Dunham model to represent the ro-vibrational, fine, and hyperfine energy contributions. The least-squares fit of more than 1500 transitions yielded an extensive set of isotopically independent Ulm parameters plus 13 Born–Oppenheimer Breakdown coefficients Δlm. As an alternative approach, we performed a Dunham analysis in terms of the most abundant isotopologue coefficients Ylm and some isotopically dependent Born–Oppenheimer Breakdown constants δlm [R. J. Le Roy, J. Mol. Spectrosc., 1999, 194, 189]. The two fits provide results of equivalent quality. The Born–Oppenheimer equilibrium bond distance for the imidogen radical has been calculated [rBOe = 103.606721(13) pm] and zero-point energies have been derived for all the isotopologues.

Graphical abstract: The rotational spectrum of 15ND. Isotopic-independent Dunham-type analysis of the imidogen radical

Supplementary files

Article information

Article type
Paper
Submitted
16 7 2018
Accepted
14 9 2018
First published
17 9 2018

Phys. Chem. Chem. Phys., 2019,21, 3564-3573

The rotational spectrum of 15ND. Isotopic-independent Dunham-type analysis of the imidogen radical

M. Melosso, L. Bizzocchi, F. Tamassia, C. Degli Esposti, E. Canè and L. Dore, Phys. Chem. Chem. Phys., 2019, 21, 3564 DOI: 10.1039/C8CP04498H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements