Infrared absorption of GeNNO isolated in solid Ar

Journal Article · Wed Oct 14 00:00:00 EDT 2009 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3236384· OSTI ID:21559792

Zihmin, Jiang; Glatthaar, Joerg ^[1]; Lee, Yuan-Pern ^[2]

---

1. Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, Hsinchu 30010, Taiwan (China)
2. Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, Hsinchu 30010, Taiwan and Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan (China)

Codeposition of thermally generated atomic germanium vapor and nitrous oxide (N{sub 2}O) in Ar onto a substrate at 11 K produced infrared absorption lines in several sets. The most prominent comprises intense lines at 1443.7, 1102.4, and 784.0 cm{sup -1} that become diminished upon irradiation with UV or visible light. These lines are attributed to {nu}{sub 1} (NO stretching), {nu}{sub 2} (NN+GeN stretching), and {nu}{sub 3} (NNO bending+NN stretching) modes of singlet GeNNO. Two additional weak features at 1238.1 and 2859.2 cm{sup -1} are assigned as {nu}{sub 3}+{nu}{sub 4} and 2{nu}{sub 1} of GeNNO, respectively. Weak doublet features at 1259.3/1255.5 and 1488.9/1486.4 cm{sup -1} are tentatively assigned to {nu}{sub 2} of triplet GeONN and {nu}{sub 1} of singlet cyc-Ge-{eta}{sup 2}[NN(O)], respectively. Quantum-chemical calculations on the Ge+N{sub 2}O system with density-functional theory (B3LYP /aug-cc-pVTZ) predict five stable structures: GeNNO (singlet and triplet), singlet cyc-Ge-{eta}{sup 2}[NN(O)], triplet cyc-Ge-{eta}{sup 2} (NNO), GeONN (singlet and triplet), and singlet GeNON. Vibrational wavenumbers, relative IR intensities, and {sup 15}N-isotopic ratios for observed species are consistent with those computed. Irradiation of singlet GeNNO with {lambda}=248 or 193 nm or {lambda}>525 nm yields GeO.

• OSTI ID: 21559792
• Journal Information: Journal of Chemical Physics, Vol. 131, Issue 14; Other Information: DOI: 10.1063/1.3236384; (c) 2009 American Institute of Physics; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION
DENSITY FUNCTIONAL METHOD
GERMANIUM
GERMANIUM OXIDES
INFRARED SPECTRA
IRRADIATION
ISOTOPE RATIO
NITRIC OXIDE
NITROGEN 15
NITROUS OXIDE
SEMICONDUCTOR MATERIALS
SOLIDS
SUBSTRATES
TRIPLETS
VAPORS
VISIBLE RADIATION
CALCULATION METHODS
CHALCOGENIDES
DIMENSIONLESS NUMBERS
ELECTROMAGNETIC RADIATION
ELEMENTS
FLUIDS
GASES
GERMANIUM COMPOUNDS
ISOTOPES
LIGHT NUCLEI
MATERIALS
METALS
MULTIPLETS
NITROGEN COMPOUNDS
NITROGEN ISOTOPES
NITROGEN OXIDES
NUCLEI
ODD-EVEN NUCLEI
OXIDES
OXYGEN COMPOUNDS
RADIATIONS
SORPTION
SPECTRA
STABLE ISOTOPES
VARIATIONAL METHODS