Issue 7, 2016

Negative ion photoelectron spectroscopy of P2N3: electron affinity and electronic structures of P2N3˙

Abstract

We report here a negative ion photoelectron spectroscopy (NIPES) and ab initio study of the recently synthesized planar aromatic inorganic ion P2N3, to investigate the electronic structures of P2N3 and its neutral P2N3˙ radical. The adiabatic detachment energy of P2N3 (electron affinity of P2N3˙) was determined to be 3.765 ± 0.010 eV, indicating high stability for the P2N3 anion. Ab initio electronic structure calculations reveal the existence of five, low-lying, electronic states in the neutral P2N3˙ radical. Calculation of the Franck–Condon factors (FCFs) for each anion-to-neutral electronic transition and comparison of the resulting simulated NIPE spectrum with the vibrational structure in the observed spectrum allows the first four excited states of P2N3˙ to be determined to lie 6.2, 6.7, 11.5, and 22.8 kcal mol−1 above the ground state of the radical, which is found to be a 6π-electron, 2A1, σ state.

Graphical abstract: Negative ion photoelectron spectroscopy of P2N3−: electron affinity and electronic structures of P2N3˙

Supplementary files

Article information

Article type
Edge Article
Submitted
04 Dec 2015
Accepted
05 Apr 2016
First published
19 Apr 2016
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2016,7, 4667-4675

Negative ion photoelectron spectroscopy of P2N3: electron affinity and electronic structures of P2N3˙

G. Hou, B. Chen, W. J. Transue, D. A. Hrovat, C. C. Cummins, W. T. Borden and X. Wang, Chem. Sci., 2016, 7, 4667 DOI: 10.1039/C5SC04667J

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, 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 commercial 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