Hayley Bunn Samuel Zinga Carson Powers Brian Savino

Hayley Bunn, Samuel Zinga, Carson Powers, Brian Savino, Morgan Mc. Cabe, Brian Hays, Susanna L. Widicus Weaver O(1 D) Insertion Reactions for the Production and Spectral Analysis of Interstellar Organic Molecules The 73 rd International Symposium on Molecular Spectroscopy June 2018, Champaign-Urbana

Organics in the ISM • Targets: Aminomethanol and Methanediol • Prebiotic importance (precursor to glycine) • No rotational spectra • Formed from methanol photolysis products in Interstellar Ices R. T. Garrod, S. L. Widicus Weaver, E. Herbst, Astrophys. J. , 682, 283 (2008) D. R. Kent, S. L. Widicus, G. A. Blake, W. A. Goddard, J. Chem. Phys, 119, 5117 (2003) Emory University 2

O(1 D) Insertion Reactions • O(1 D) insertion for the production of species reactive under terrestrial environments • Primarily inserts into H-X bonds where X=C, N, O, H Emory University 3

O(1 D) Experimental Set-up Emory University 4

Methanol B. M. Hays, N. Wehres, B. Alligood De. Prince, A. A. M. Roy, J. C. Laas, S. L. Widicus Weaver, Chem. Phys. Lett. , 630, 18 (2015) Emory University 5

Vinyl alcohol B. M. Hays, N. Wehres, B. Alligood De. Prince, A. A. M. Roy, J. C. Laas, S. L. Widicus Weaver, Chem. Phys. Lett. , 630, 18 (2015) Emory University 6

Aminomethanol Constant CCSD(T)/cc-p. VTZ A (GHz) 38. 3252 B (GHz) 9. 5296 C (GHz) 8. 5436 -0. 2892 0. 9736 -1. 2811 B. M. Hays, S. L. Widicus Weaver, J. Phys. Chem. , 117, 7142 (2013) Emory University 7

Aminomethanol B. M. Hays, S. L. Widicus Weaver, J. Phys. Chem. , 117, 7142 (2013) Emory University 8

Possible Aminomethanol Detection Known molecules that have been detected: O 2(1Δ), NO 2, HCN, HNC, HNO, HO 2, H 2 CO, H 2 O 2 , H 2 CN, HNCO, HCNO, CH 3 O, CH 2 NH, CH 3 OH, NH 2 CHO Emory University Molecules not detected: NH 2 OH (surprisingly), CN, NCO, H 2 CNOH, CH 3 NHOH, HOCN, NH 2 CN 9

Dark reactions 1 – 50 GHz Frequency Synthesizer CH 3 NH 2 + O 3 → ? To Computer VDI Multiplier chain 50 GHz – 1. 2 THz Detector Gas Flow Cell Sample Input Laser Induced Product Emory University To Vacuum Pump Dark Product 10

Aminomethanol spectral prediction • Known molecules and dark spectra removed Emory University 11

Aminomethanol Zwitterion Emory University 12

Possible Aminomethanol Detection CH 3 NH 2 + O(1 D) → HOCH 2 NH 2 (aminomethanol) CH 3 NHOH (n-methyl hydroxylamine) CH 3 ONH 2 (aminomethyl ether) • Hyperfine splitting indicates an Ncontaining molecule • Frequency does not yet match for any other suspected N-containing products Emory University 13

Methanediol Constant MP 2/aug-cc-p. VTZ A (GHz) 41. 9128 B (GHz) 10. 1912 C (GHz) 9. 0330 0. 0089 0. 0479 0. 0051 B. M. Hays, S. L. Widicus Weaver, J. Phys. Chem. , 117, 7142 (2013) Emory University 14

Methanediol B. M. Hays, S. L. Widicus Weaver, J. Phys. Chem. , 117, 7142 (2013) Emory University 15

Future work with O(1 D) Insertion reactions • Confirmation of aminomethanol detection – Remeasure spectra with higher sensitivity (multipass) – Extend spectra (e. g. to search for NH 3 & OH) – Fit spectrum, compare results to calculated rotational constants • Produce and record spectra of methanediol • Compare spectra to observational data Emory University 16

Acknowledgements NASA APRA Grant NNX 17 AE 72 G Emory University 17