1. Waveguide Chirped-Pulse Fourier Transform Microwave Spectroscopy of 2-Ethoxyethanol Maria A. Phillips, Steven Shipman New College of Florida

2. Background Methoxymethanol: predicted to be in the ISM – Hays et al. 2-Methoxyethanol: Caminati et al. 2-Ethoxyethanol: Slightly larger, no previous MW Work Hays B. M.; Widicus Weaver S. L. J. Phys. Chem. A, in press 2013 Caminati, W.; Meyer, R.; Smith, Z. Chemical Physics, 1986, 110, 67-82

3. Computational Chemistry Debye |μ a |2.033 |μ b |1.5781 |μ c |0.083 gg’tt 0 cm -1 gg’tg 440 cm -1 gg’tg’ 530 cm -1 gg’g’t 630 cm -1 El-Hefnawy, M.; Sameshima, K.; Matsushita, T.; Tanaka, R.; Chemical Society of Japan, 2006, 79, 845 – 856 Tafazzoli, M.; Jalil, S.; Theoretical Chemistry Accounts, 2002, 107, 162 – 172

4. Experimental Set Up 8.7 – 13.5 GHz 13.5 – 18.3 GHz 18.0 – 26.5 GHz

5. 2-Ethoxyethanol 1M shots -20 o C 7 mTorr 4 μs FID

6. Triples Fitter Predict spectrum from an initial guess Select three transitions expected to be present (used for fitting) Select another 10 – 20 transitions also expected to be present (used for scoring) Assign experimental peaks to fitting transitions, run SPFIT then SPCAT and score the resulting spectrum Repeat for many combinations of experimental peaks and rank the results

7. EEO GSCalculated B3LYP/6-311++G(d,p) Triples FitterCurrent A (MHz)8761.1488701.38795.65(41) B (MHz)1612.8821631.521630.98(75) C (MHz)1457.3181472.371473.45(70) Δ J (kHz)0.5174 0.496318(187) Δ JK (kHz)-4.700 -4.45233(141) Δ K (kHz)459.77 434.271( 88) δ J (kHz)0.114 0.1057660(156) δ K (kHz)3.314 3.16146( 78) Φ J (Hz) -- -0.7612(82)E-03 Φ KJ (Hz) -- -0.07091(133) φ J (Hz) -- 0.17192(167)E-03 Fit RMS (kHz)-- 57 Highest J-- 113 Lines Fit-- 330

8. 2-Ethoxyethanol

9. Future Work

10. EEO ESCurrent A (MHz)8759.7828(78) B (MHz)1625.16201(159) C (MHz)1473.57295(148) Δ J (kHz)0.3724( 47) Δ JK (kHz) 11.460( 57) Δ K (kHz)73.427(124) δ J (kHz)0.24220( 48) δ K (kHz) 5.008( 89) Fit RMS (kHz) 94 Highest J29 Lines Fit 109 Excited State Fit: Possible Ethyl Torsion

11. Acknowledgements Dr. Steven Shipman Bri Gordon Benjamin Rooks Christian Metzger Ian Finneran Benjamin Reinhold Erin Kent Morgan McCabe New College of Florida National Science Foundation Office of Naval Research

13. Expanded View

14. Flow – Through Chiller System