1. Broadband Rotational Spectrum and Molecular Geometry of OC  AgI Nicholas R. Walker, Susanna L. Stephens, Anthony C. Legon 1 67 th International Symposium on Molecular Spectroscopy, Ohio State University, 2012. Engineering and Physical Sciences Research Council

2. Design of Laser Ablation Source for CP-FTMW Spectrometer Design Challenges Designs must consider; Need for the target to rotate, translate and switch direction in a vacuum. Geometry of source and location of laser. Need for daily and weekly disassembly and maintenance. Can we also have flexibility in selecting experimental conditions?

4. Laser ablation source informed by the designs currently used by Legon and co-workers, Duncan and co-workers, Gerry and co-workers, Ziurys and co-workers. Laser ablation source Rod holder

5. Power divider SPST switch Mixer Low noise amplifier Pin diode limiter Adjustable attenuator 300 W Power amplifier AWG (0.5-12 GHz) Oscilloscope (0-12 GHz) 10 MHz reference frequency PDRO (19.00 GHz) 7.0-18.5 GHz 7.0-18.5 GHz 12.2 GHz Low-pass band filter CP-FTMW Spectrometer

6. OC  AuX (X=F,Cl,Br) OC  CuX (X=F,Cl,Br) OC  AgX (X=F,Cl,Br) OC  CuI OC  AuI C.J. Evans, L.M. Reynard and M.C.L. Gerry, Inorg. Chem. 40, 6123 (2001) N.R. Walker and M.C.L. Gerry, Inorg. Chem. 41, 1236 (2002) N.R. Walker and M.C.L. Gerry, Inorg. Chem. 40, 6158 (2001) N.R. Walker, S.G. Francis, S.L. Matthews, J.J. Rowlands and A.C. Legon, Mol. Phys. 105, 861 (2007) S.G. Batten and A.C. Legon, Chem. Phys. Lett. 422, 192 (2006) OC  AgI Transitions likely to be intense enough to observe by CP-FTMW spectroscopy. Why didn’t we find it when we searched in 2007 ???? Previous Studies of OC  MX

7. OC  AgI 8000 10000 12000 14000 16000 18000 Frequency/MHz CF 3 I 107 AgI 109 AgI AgI 1% CO, 0.5% CF 3 I, 6 bar argon 18000 averages (2 hours)

8. OC  AgI 13200 13400 13600 13800 14000 14200 14400 Frequency / MHz 107 AgI 109 AgI OC  ICF 3 Exp. Sim. OC  107 AgI OC  109 AgI Spectrum of OC  ICF 3 characterised in Stephens et al. J. Chem. Phys. 135, 224309 (2011)

9. Results of Spectroscopic Fits

10. Results of Structure Fitting Length of C  O bond decreases on attachment to AgI. r (AgI) also decreases slightly. Basis set completeness is essential for accuracy in the theoretical calculation. r 0 of free CO = 1.130 Å r 0 of free AgI= 2.547 Å 

11. 131001315013200132501330013350 Frequency / MHz v=0 115 InI 113 InI 113 In=95.7% 115 In=4.3% Natural Abundances Rotational Spectra of Indium Iodide Vibrationally-Excited States v=1 v=2 v=3 v=0 v=1 v = 2 J=8 7 6 } Rotational Levels J=8 7 6

12. v = 0 1 2 3 4 8 12 15 Rotational Spectra of Aluminium iodide Vibrationally-Excited States 27 AlI J  J= 1  2 [ 27 Al is only naturally-abundant isotope of Al]

13. Acknowledgements University of Bristol Susanna Stephens Anthony C. Legon Wataru Mizukami David P. Tew Financial Support Engineering and Physical Sciences Research Council Publication S.L. Stephens, N.R. Walker and A.C. Legon, J. Chem. Phys., 136 064306 (2012)