Negative ions of nitroethane and its clusters

The Journal of Chemical Physics
S T StokesR N Compton

Abstract

Valence and dipole-bound negative ions of the nitroethane (NE) molecule and its clusters are studied using photoelectron spectroscopy (PES), Rydberg electron transfer (RET) techniques, and ab initio methods. Valence adiabatic electron affinities (EA(a)s) of NE, C(2)H(5)NO(2), and its clusters, (C(2)H(5)NO(2))(n), n=2-5, are estimated using vibrationally unresolved PES to be 0.3+/-0.2 eV (n=1), 0.9+/-0.2 eV (n=2), 1.5+/-0.2 eV (n=3), 1.9+/-0.2 eV (n=4), and 2.1+/-0.2 eV (n=5). These energies were then used to determine stepwise anion-neutral solvation energies and compared with previous literature values. Vertical detachment energies for (C(2)H(5)NO(2))(n)(-) were also measured to be 0.92+/-0.10 eV (n=1), 1.63+/-0.10 eV (n=2), 2.04+/-0.10 eV (n=3), and 2.3+/-0.1 eV (n=4). RET experiments show that Rydberg electrons can be attached to NE both as dipole-bound and valence bound anion states. The results are similar to those found for nitromethane (NM), where it was argued that the diffuse dipole state act as a "doorway state" to the more tightly bound valence anion. Using previous models for relating the maximum in the RET dependence of the Rydberg effective principle number n(max)(*), the dipole-bound electron affinity is predicte...Continue Reading

References

Sep 1, 1985·Physical Review A: General Physics·D M NeumarkW C Lineberger
Sep 23, 2000·Chemistry and Physics of Lipids·S Chatterjee
Jul 13, 2006·Health Affairs·Leslie M BeitschPatrick M Libbey
Aug 21, 2007·The Journal of Chemical Physics·M CannonR N Compton
Mar 6, 2008·Mass Spectrometry Reviews·Nasrin Mirsaleh-KohanRobert N Compton

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Citations

Jun 28, 2013·The Journal of Chemical Physics·Byron H SmithThomas Sommerfeld
Mar 1, 2012·The Journal of Chemical Physics·Christopher L AdamsJ Mathias Weber
Nov 11, 2011·The Journal of Chemical Physics·F Ferreira da SilvaP Scheier
Jun 18, 2009·The Journal of Chemical Physics·Ryuzo Nakanishi, Takashi Nagata
Jul 5, 2011·The Journal of Chemical Physics·Christopher L Adams, J Mathias Weber
May 17, 2014·The Journal of Chemical Physics·Margaret A YandellDaniel M Neumark
Jul 17, 2015·The Journal of Chemical Physics·Sarah B KingDaniel M Neumark
Dec 15, 2018·Physical Review Letters·Lorenz S Cederbaum
Mar 9, 2010·The Journal of Physical Chemistry. a·C L AdamsJ M Weber
Nov 12, 2013·Journal of Chemical Theory and Computation·Thomas Sommerfeld

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Methods Mentioned

BETA
electron scattering
total scattering

Software Mentioned

RET
LABVIEW
- G03
GAUSSIAN
PES
ACES

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