Infrared spectra and UHF SCF calculations of HF complexes with NO, (NO)2, and NO2

Article abstract of DOI:10.1063/1.452490

HF complexes with nitric oxide and nitrogen dioxide were prepared in argon matrices and studied using IR spectroscopy and unrestricted Hartree-Fock SCF calculations.The results indicate the formation of three different complexes NO--HF, ONNO--HF, and ONO--HF, in which the hydrogen atom of HF is bound to an oxygen atom of the base in each complex.Perturbations in the N-O stretching base submolecule modes were observed in each complex and all were blue shifted with respect to the free base.From the calculations, the unpaired electron was found to be contained in a ? antibonding orbital which is in the plane of the NO- HF and ONO-HF complexes.

Full text of DOI:10.1063/1.452490

Infrared spectra and UHF SCF calculations of HF complexes with NO, (NO)2, and
NO2
Steven R. Davis, Lester Andrews, and Carl O. Trindle
Citation: The Journal of Chemical Physics 86, 6027 (1987); doi: 10.1063/1.452490
View online: http://dx.doi.org/10.1063/1.452490
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/86/11?ver=pdfcov
Published by the AIP Publishing
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
155.247.166.234 On: Sun, 23 Nov 2014 05:11:58

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
155.247.166.234 On: Sun, 23 Nov 2014 05:11:58

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
155.247.166.234 On: Sun, 23 Nov 2014 05:11:58

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
155.247.166.234 On: Sun, 23 Nov 2014 05:11:58

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
155.247.166.234 On: Sun, 23 Nov 2014 05:11:58

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
155.247.166.234 On: Sun, 23 Nov 2014 05:11:58

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
155.247.166.234 On: Sun, 23 Nov 2014 05:11:58