Characterization of the reaction products of laser-ablated lanthanide metal atoms with nitric oxide. Infrared spectra of the NLnO molecules in solid argon

Stephen P. Willson, Lester Andrews, Matthew Neurock

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

This paper reports stretching frequencies of the novel NLnO lanthanide nitride, oxide molecules and the NCeO- and NPrO- anions in solid argon. Combination bands observed for NCeO, NPrO, NNdO, and NTbO confirm these assignments, and density functional calculations are presented to model the vibrational potentials of NCeO, NPrO, NNdO, NGdO, NTbO, and NLuO. The Ln-O frequencies of the NLnO molecules range from 800 to 720 cm-1, except for the case of NEuO, which is lower, near the EuO diatomic molecule. The Ln-N frequencies of the NLnO molecule depend on the availability of electrons for the LnN bond after the LnO double bond has been satisfied and, therefore, suggest the presence of three different bond orders, depending on the metal center. In NLuO, the Lu-N mode is 425.6 cm-1, and the Lu atom retains a filled f-shell; the Ce-N bond of NCeO has a higher frequency, 690.8 cm-1, and NPrO has a Pr-N mode at 900.8 cm-1, which is even higher than the PrN diatomic mode (857.9 cm-1). In addition, NO complexes with Ln, LnO, and CeO2 have been identified. The increase in yield of these complexes and NLnO insertion products on annealing may be useful in the development of models for the catalytic activity of Ln atoms in the conversion of NO to N2.

Original languageEnglish (US)
Pages (from-to)3446-3456
Number of pages11
JournalJournal of Physical Chemistry A
Volume104
Issue number16
DOIs
StatePublished - Dec 3 2000

Fingerprint

Lanthanoid Series Elements
solidified gases
Argon
nitric oxide
Reaction products
reaction products
Nitric Oxide
infrared spectra
Metals
Infrared radiation
Atoms
Molecules
Lasers
metals
lasers
atoms
molecules
diatomic molecules
nitrides
availability

Cite this

Characterization of the reaction products of laser-ablated lanthanide metal atoms with nitric oxide. Infrared spectra of the NLnO molecules in solid argon. / Willson, Stephen P.; Andrews, Lester; Neurock, Matthew.

In: Journal of Physical Chemistry A, Vol. 104, No. 16, 03.12.2000, p. 3446-3456.

Research output: Contribution to journalArticle

@article{530115c2eb014219b504fbe555ee8093,
title = "Characterization of the reaction products of laser-ablated lanthanide metal atoms with nitric oxide. Infrared spectra of the NLnO molecules in solid argon",
abstract = "This paper reports stretching frequencies of the novel NLnO lanthanide nitride, oxide molecules and the NCeO- and NPrO- anions in solid argon. Combination bands observed for NCeO, NPrO, NNdO, and NTbO confirm these assignments, and density functional calculations are presented to model the vibrational potentials of NCeO, NPrO, NNdO, NGdO, NTbO, and NLuO. The Ln-O frequencies of the NLnO molecules range from 800 to 720 cm-1, except for the case of NEuO, which is lower, near the EuO diatomic molecule. The Ln-N frequencies of the NLnO molecule depend on the availability of electrons for the LnN bond after the LnO double bond has been satisfied and, therefore, suggest the presence of three different bond orders, depending on the metal center. In NLuO, the Lu-N mode is 425.6 cm-1, and the Lu atom retains a filled f-shell; the Ce-N bond of NCeO has a higher frequency, 690.8 cm-1, and NPrO has a Pr-N mode at 900.8 cm-1, which is even higher than the PrN diatomic mode (857.9 cm-1). In addition, NO complexes with Ln, LnO, and CeO2 have been identified. The increase in yield of these complexes and NLnO insertion products on annealing may be useful in the development of models for the catalytic activity of Ln atoms in the conversion of NO to N2.",
author = "Willson, {Stephen P.} and Lester Andrews and Matthew Neurock",
year = "2000",
month = "12",
day = "3",
doi = "10.1021/jp992727j",
language = "English (US)",
volume = "104",
pages = "3446--3456",
journal = "Journal of Physical Chemistry A",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "16",

}

TY - JOUR

T1 - Characterization of the reaction products of laser-ablated lanthanide metal atoms with nitric oxide. Infrared spectra of the NLnO molecules in solid argon

AU - Willson, Stephen P.

AU - Andrews, Lester

AU - Neurock, Matthew

PY - 2000/12/3

Y1 - 2000/12/3

N2 - This paper reports stretching frequencies of the novel NLnO lanthanide nitride, oxide molecules and the NCeO- and NPrO- anions in solid argon. Combination bands observed for NCeO, NPrO, NNdO, and NTbO confirm these assignments, and density functional calculations are presented to model the vibrational potentials of NCeO, NPrO, NNdO, NGdO, NTbO, and NLuO. The Ln-O frequencies of the NLnO molecules range from 800 to 720 cm-1, except for the case of NEuO, which is lower, near the EuO diatomic molecule. The Ln-N frequencies of the NLnO molecule depend on the availability of electrons for the LnN bond after the LnO double bond has been satisfied and, therefore, suggest the presence of three different bond orders, depending on the metal center. In NLuO, the Lu-N mode is 425.6 cm-1, and the Lu atom retains a filled f-shell; the Ce-N bond of NCeO has a higher frequency, 690.8 cm-1, and NPrO has a Pr-N mode at 900.8 cm-1, which is even higher than the PrN diatomic mode (857.9 cm-1). In addition, NO complexes with Ln, LnO, and CeO2 have been identified. The increase in yield of these complexes and NLnO insertion products on annealing may be useful in the development of models for the catalytic activity of Ln atoms in the conversion of NO to N2.

AB - This paper reports stretching frequencies of the novel NLnO lanthanide nitride, oxide molecules and the NCeO- and NPrO- anions in solid argon. Combination bands observed for NCeO, NPrO, NNdO, and NTbO confirm these assignments, and density functional calculations are presented to model the vibrational potentials of NCeO, NPrO, NNdO, NGdO, NTbO, and NLuO. The Ln-O frequencies of the NLnO molecules range from 800 to 720 cm-1, except for the case of NEuO, which is lower, near the EuO diatomic molecule. The Ln-N frequencies of the NLnO molecule depend on the availability of electrons for the LnN bond after the LnO double bond has been satisfied and, therefore, suggest the presence of three different bond orders, depending on the metal center. In NLuO, the Lu-N mode is 425.6 cm-1, and the Lu atom retains a filled f-shell; the Ce-N bond of NCeO has a higher frequency, 690.8 cm-1, and NPrO has a Pr-N mode at 900.8 cm-1, which is even higher than the PrN diatomic mode (857.9 cm-1). In addition, NO complexes with Ln, LnO, and CeO2 have been identified. The increase in yield of these complexes and NLnO insertion products on annealing may be useful in the development of models for the catalytic activity of Ln atoms in the conversion of NO to N2.

UR - http://www.scopus.com/inward/record.url?scp=0033752174&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0033752174&partnerID=8YFLogxK

U2 - 10.1021/jp992727j

DO - 10.1021/jp992727j

M3 - Article

VL - 104

SP - 3446

EP - 3456

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 16

ER -