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Title: Reactions of laser-ablated Fe, Co, and Ni with NO: Infrared spectra and density functional calculations of MNO{sup +} and M(NO){sub x} (M = Fe, Co, x = 1--3; M = Ni, x = 1,2), and M(NO){sub x}{sup {minus}} (M = Co, Ni; x = 1,2)

Abstract

Laser-ablated iron, cobalt, and nickel atoms, cations, and electrons have been reacted with NO molecules during condensation in excess neon and argon. The end-on bonded Fe(NO){sub 1-3}, Co(NO){sub 1-3}, and Ni(NO){sub 1-2} nitrosyls and side-bonded Fe-({eta}{sup 2}-NO), Co-({eta}{sup 2}-NO), and Ni-({eta}{sup 2}-NO) species are formed during sample deposition or on annealing. The FeNO{sup +}, CoNO{sup +}, and NiNO{sup +} mononitrosyl cations are also produced via metal cation reactions with NO. Evidence is also presented for the Ni(NO){sub 1,2}{sup {minus}} and Co(NO){sub 1,2}{sup {minus}} anions. The product absorptions are identified by isotopic substitution ({sup 15}N{sup 16}O, {sup 15}N{sup 18}O, and mixtures), electron trapping with added CCl{sub 4}, and density functional calculations of isotopic frequencies. This work provides the first vibrational spectroscopic characterization of Fe, Co, and Ni nitrosyl cations and anions.

Authors:
;
Publication Date:
Research Org.:
Univ. of Virginia, Charlottesville, VA (US)
OSTI Identifier:
20034415
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory
Additional Journal Information:
Journal Volume: 104; Journal Issue: 17; Other Information: PBD: 4 May 2000; Journal ID: ISSN 1089-5639
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES; NITRIC OXIDE; IRON; COBALT; NICKEL; LASERS; ABLATION; INFRARED SPECTRA; MATHEMATICAL MODELS; CHEMICAL REACTIONS; AIR POLLUTION CONTROL

Citation Formats

Zhou, M., and Andrews, L. Reactions of laser-ablated Fe, Co, and Ni with NO: Infrared spectra and density functional calculations of MNO{sup +} and M(NO){sub x} (M = Fe, Co, x = 1--3; M = Ni, x = 1,2), and M(NO){sub x}{sup {minus}} (M = Co, Ni; x = 1,2). United States: N. p., 2000. Web. doi:10.1021/jp993340j.
Zhou, M., & Andrews, L. Reactions of laser-ablated Fe, Co, and Ni with NO: Infrared spectra and density functional calculations of MNO{sup +} and M(NO){sub x} (M = Fe, Co, x = 1--3; M = Ni, x = 1,2), and M(NO){sub x}{sup {minus}} (M = Co, Ni; x = 1,2). United States. doi:10.1021/jp993340j.
Zhou, M., and Andrews, L. Thu . "Reactions of laser-ablated Fe, Co, and Ni with NO: Infrared spectra and density functional calculations of MNO{sup +} and M(NO){sub x} (M = Fe, Co, x = 1--3; M = Ni, x = 1,2), and M(NO){sub x}{sup {minus}} (M = Co, Ni; x = 1,2)". United States. doi:10.1021/jp993340j.
@article{osti_20034415,
title = {Reactions of laser-ablated Fe, Co, and Ni with NO: Infrared spectra and density functional calculations of MNO{sup +} and M(NO){sub x} (M = Fe, Co, x = 1--3; M = Ni, x = 1,2), and M(NO){sub x}{sup {minus}} (M = Co, Ni; x = 1,2)},
author = {Zhou, M. and Andrews, L.},
abstractNote = {Laser-ablated iron, cobalt, and nickel atoms, cations, and electrons have been reacted with NO molecules during condensation in excess neon and argon. The end-on bonded Fe(NO){sub 1-3}, Co(NO){sub 1-3}, and Ni(NO){sub 1-2} nitrosyls and side-bonded Fe-({eta}{sup 2}-NO), Co-({eta}{sup 2}-NO), and Ni-({eta}{sup 2}-NO) species are formed during sample deposition or on annealing. The FeNO{sup +}, CoNO{sup +}, and NiNO{sup +} mononitrosyl cations are also produced via metal cation reactions with NO. Evidence is also presented for the Ni(NO){sub 1,2}{sup {minus}} and Co(NO){sub 1,2}{sup {minus}} anions. The product absorptions are identified by isotopic substitution ({sup 15}N{sup 16}O, {sup 15}N{sup 18}O, and mixtures), electron trapping with added CCl{sub 4}, and density functional calculations of isotopic frequencies. This work provides the first vibrational spectroscopic characterization of Fe, Co, and Ni nitrosyl cations and anions.},
doi = {10.1021/jp993340j},
journal = {Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory},
issn = {1089-5639},
number = 17,
volume = 104,
place = {United States},
year = {2000},
month = {5}
}