June 21, 2011 66 th International Symposium on Molecular Spectroscopy Fourier-Transform Microwave Spectroscopy of FeCN (X 4 D i ): Confirmation of the Ground Electronic State Lindsay N. Zack, Jie Min, Brent J. Harris, Michael A. Flory, and Lucy M. Ziurys Department of Chemistry and Biochemistry, Department of Astronomy and Steward Observatory, University of Arizona
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June 21, 2011 66 th International Symposium on Molecular Spectroscopy Fourier-Transform Microwave Spectroscopy of FeCN (X 4 i ): Confirmation of the.
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June 21, 201166th International Symposium on Molecular Spectroscopy
Fourier-Transform Microwave Spectroscopy of FeCN (X4Di): Confirmation of the Ground
Electronic State
Lindsay N. Zack, Jie Min, Brent J. Harris, Michael A. Flory, and Lucy M. Ziurys
Department of Chemistry and Biochemistry, Department of Astronomy and Steward Observatory, University of Arizona
June 21, 201166th International Symposium on Molecular Spectroscopy
Importance of Metal Cyanides
• Metals bonded to CN moiety found in many areas of chemistry• Biochemistry (e.g. Vitamin B-12: Co-CN bonds)• Pigments (e.g. Prussian Blue: Fe-CN and Fe-NC bonds)
• Also important in astrophysics• Most common metal carriers in interstellar gas (MgNC, MgCN, AlNC, NaCN,
KCN identified in several C-rich envelopes)
• Spectroscopically: Three different structures
NM C CNM
C N
M
Alkali-earth/main group M = Ca, Mg, Al, Ga, In(also predicted for early 3d metals)
Transition metalsM = Cr, Co, Ni, Cu, Zn
Alkali metalsM = Na, K
LINEAR CYANIDE
T-SHAPED
LINEAR ISOCYANIDE
June 21, 201166th International Symposium on Molecular Spectroscopy
Previous Work on FeNC/FeCN• Laser Fluorescence Spectroscopy (Lie & Dagdigian 2001)
• Observed W = 7/2′ ← W″ = 9/2 transition of FeN12C and FeN13C• Proposed 6D ground state; same as FeF and FeCl
• Theoretical Calculations (DeYonker et al. 2004; Hirano et al. 2006, 2007; Redondo et al. 2010)
• Several levels of theory• Disagree on lowest energy isomer (FeCN vs. FeNC); agree on 6D
ground state
A bit confusing !!! Who is correct ??
• Rotational Spectroscopy (Flory & Ziurys)
• Observed several rotational transitions• FeCN lowest in energy• Proposed 4Di ground state; same
as FeH • Also measured W = 9/2 ladder of
FeNC (X6Di)
June 21, 201166th International Symposium on Molecular Spectroscopy