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FOURIER-TRANSFORM INFRARED OBSERVATION OF Ge m C n CLUSTERS

FOURIER-TRANSFORM INFRARED OBSERVATION OF Ge m C n CLUSTERS. Eric Gonzalez. Ge n C m clusters already discovered in the TCU Molecular Physics Lab.  3 ( u ) mode of GeC 3 Ge: 1920.7 cm -1.  1 () mode of GeC 7 : 2063.6 cm -1.  4 () mode of GeC 9 : 1928.3 cm -1.  6 C 9.  4

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FOURIER-TRANSFORM INFRARED OBSERVATION OF Ge m C n CLUSTERS

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  1. FOURIER-TRANSFORM INFRARED OBSERVATION OF GemCn CLUSTERS Eric Gonzalez

  2. GenCm clusters already discovered in the TCU Molecular Physics Lab • 3(u) mode of GeC3Ge: 1920.7 cm-1 • 1() mode of GeC7: 2063.6 cm-1 • 4() mode of GeC9: 1928.3 cm-1

  3. 6 C9 4 C6 12C rod + Ge rod 1998.0 1952.5 3 C3 5 C9 2038.9 2093.3 4 C7 2078.1 2127.8 3(u) GeC3Ge 1920.7 2063.6 Absorbance 12C rod 5 C7 1894.3 1900 1950 2000 2050 2100 Frequency (cm-1) Spectra from laser ablation of C and Ge/C rods ? 4() GeC9 1928.3 1() GeC7

  4. Routine Production of small GenCm clusters using low enrichment 13C rods

  5. GeC3Ge 3(u) mode at 1920.7 cm-1 1920.7 5(u) C7 1906.8Ge-13-12-12-Ge overlapped 1876.2 Ge-12-13-12-Ge C7 shift C7 shift C7 shift 1840 1860 1880 1900 1920 Frequency (cm-1)

  6. Proposal GeC4? ν1(σ) mode of GeC4: 2093.5 cm-1

  7. Proposal GeC4? A Experiment 93% 12C/7% 13C 2093.5 GenCm? B 1 GeC7 2087.7 2070.6 C 2069.1 GenCm? 2074.2 6 C10 2086.9 2063.6 2078.1 5 C9 D 2060.6 2050.8 Cn? 2062.1 2087.1 2086.2 DFT simulation 85% 12C /15% 13C 2055 2060 2065 2070 2075 2080 2085 2090 2095 Frequency (cm-1)

  8. Comparison of observed and predicted DFT (B3LYP/cc-pVDZ) frequencies for single 13C-subtituted isotopomers of v1mode of Ge12C4 and single 12C-substituted isotopomers of v1mode of Ge13C4. Proposal GeC4? a With a scaling obs/~0.959529 b With a scaling obs/~ a With a scaling obs/~0.959529 b With a scaling obs/~

  9. a With a scaling obs/~0.959529 b With a scaling obs/~

  10. Comparison with Darron’s Experiment 2050 2060 2070 2080 2090 2100 2110 2093.5 2074.2 6 C10 2078.1 5 C9 GenCm? Darron’s Experiment 2087.7 2086.9 2060.6

  11. Proposal GeC4? A Experiment 93% 12C/7% 13C 2093.5 GenCm? B 1 GeC7 2087.7 2070.6 C 2069.1 GenCm? 2074.2 6 C10 2086.9 2063.6 2078.1 5 C9 D 2060.6 2050.8 Cn? 2062.1 2086.2 2087.1 DFT simulation 85% 12C /15% 13C a With a scaling obs/~0.959529 b With a scaling obs/~ 2055 2060 2065 2070 2075 2080 2085 2090 2095 Frequency (cm-1)

  12. High Enrichment 13C Experiments Goal: to obtain at least the single 12C substituted isotopomers of GeC4

  13. Comparison of observed and predicted DFT (B3LYP/cc-pVDZ) frequencies for single 13C-subtituted isotopomers of v1mode of Ge12C4 and single 12C-substituted isotopomers of v1mode of Ge13C4. Complete the bottom part of the table to make an unambiguous claim that the absorption at 2093.5 cm-1 is indeed the ν1(σ) mode of GeC4 a With a scaling obs/~0.959529 b With a scaling obs/~ a With a scaling obs/~0.959529 b With a scaling obs/~

  14. First Try: The 50% 12C-50% 13C rod Experiment

  15. Current Experiments: 90 %13C-10% 12C rods

  16. End

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