Infrared spectroscopy and structure of (NO)n clusters

Hoshina, Hiromichi; Slipchenko, Mikhail; Prozument, Kirill; Verma, Deepak; Schmidt, Michael W.; Ivanic, Joseph; Vilesov, Andrey F.

doi:10.1021/acs.jpca.5b10228

Infrared spectroscopy and structure of (NO)_n clusters

Journal Article · Tue Jan 12 00:00:00 EST 2016 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.5b10228· OSTI ID:1254296

Hoshina, Hiromichi ^[1]; Slipchenko, Mikhail ^[1]; Prozument, Kirill ^[1]; Verma, Deepak ^[1]; Schmidt, Michael W. ^[2]; Ivanic, Joseph ^[3]; Vilesov, Andrey F. ^[1]

Univ. of Southern California, Los Angeles, CA (United States)
Ames Lab. and Iowa State Univ., Ames, IA (United States)
DSITP, Frederick National Lab. for Cancer Research, Frederick, MD (United States)

Nitrogen oxide clusters (NO)_n have been studied in He droplets via infrared depletion spectroscopy and by quantum chemical calculations. The ν₁ and ν₅ bands of cis-ON-NO dimer have been observed at 1868.2 and 1786.5 cm^–1, respectively. Furthermore, spectral bands of the trimer and tetramer have been located in the vicinity of the corresponding dimer bands in accord with computed frequencies that place NO-stretch bands of dimer, trimer, and tetramer within a few wavenumbers of each other. In addition, a new line at 1878.1 cm^–1 close to the band origin of single molecules was assigned to van der Waals bound dimers of (NO)₂, which are stabilized due to the rapid cooling in He droplets. Spectra of larger clusters (n > 5), have broad unresolved features in the vicinity of the dimer bands. As a result, experiments and calculations indicate that trimers consist of a dimer and a loosely bound third molecule, whereas the tetramer consists of two weakly bound dimers.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI ID:: 1254296

Report Number(s):: IS-J--8971

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 4 Vol. 120; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Four‐Coordinate Copper Halonitrosyl {CuNO} ¹⁰ Complexes Bower, Jamey K.; Sokolov, Alexander Yu.; Zhang, Shiyu Angewandte Chemie, Vol. 131, Issue 30 https://doi.org/10.1002/ange.201904732	journal	June 2019
[Fe(H ₂ O) ₅ (NO)] ²⁺ , das Chromophor des “braunen Rings” Monsch, Georg; Klüfers, Peter Angewandte Chemie https://doi.org/10.1002/ange.201905910	journal	May 2019
[Fe(H ₂ O) ₅ (NO)] ²⁺ , the “Brown-Ring” Chromophore Monsch, Georg; Klüfers, Peter Angewandte Chemie International Edition, Vol. 58, Issue 25 https://doi.org/10.1002/anie.201902374	journal	May 2019
Four‐Coordinate Copper Halonitrosyl {CuNO} ¹⁰ Complexes Bower, Jamey K.; Sokolov, Alexander Yu.; Zhang, Shiyu Angewandte Chemie International Edition, Vol. 58, Issue 30 https://doi.org/10.1002/anie.201904732	journal	July 2019
{FeNO} ⁷ -Type Halogenido Nitrosyl Ferrates: Syntheses, Bonding, and Photoinduced Linkage Isomerism In-Iam, Areenan; Wolf, Markus; Wilfer, Claudia Chemistry - A European Journal, Vol. 25, Issue 5 https://doi.org/10.1002/chem.201804565	journal	December 2018
Infrared spectroscopy in superfluid helium droplets Verma, Deepak; Tanyag, Rico Mayro P.; O’Connell, Sean M. O. Advances in Physics: X, Vol. 4, Issue 1 https://doi.org/10.1080/23746149.2018.1553569	journal	December 2018

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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