Repozytorium
Wyszukaj
Kolekcje
Inne
Matrix infrared spectra and ab initio calculations of the nitrous acid complexes with nitrogen monoxide.
Autorzy
Rok wydania
2000
Czasopismo
Journal of Physical Chemistry A
Numer woluminu
104
Strony
3764-3769
DOI
10.1021/jp993889i
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Complexes between trans and cis isomers of nitrous acid and nitrogen monoxide have been isolated in argon matrices and studied using FTIR spectroscopy and ab initio calculations at the ROMP2 level. The calculations indicate formation of four hydrogen-bonded complexes with trans- or cis-HONO isomer bound to nitrogen or oxygen atoms of NO molecule. Comparison of the calculated frequencies with the frequencies of the complexes trapped in solid argon proved that the more stable ON···HONO trans and ON···HONO cis complexes with an acid molecule attached to nitrogen atom are trapped in the matrix.
Słowa kluczowe
Molecular structure, Molecules, Monomers, Nitrogen, Oscillation
Adres publiczny
https://doi.org/10.1021/jp993889i
Strona internetowa wydawcy
Podobne publikacje
Infrared matrix isolation studies and ab initio calculations of formhydroxamic acid.
Sałdyka Magdalena, Mielke Zofia
Matrix infrared spectra and ab initio calculations of the formohydroxamic acid complexes with HF and HCl.
Sałdyka Magdalena, Mielke Zofia
Conformational Switching in Pyruvic Acid Isolated in Ar and N2 Matrixes: Spectroscopic Analysis, Anharmonic Simulation, and Tunneling
Reva Igor, Nunes Cláudio M., Biczysko Małgorzata, Fausto Rui