Presentation is loading. Please wait.

Presentation is loading. Please wait.

Ivan Antonov, Beau Barker, Vladimir Bondybey and Michael Heaven Emory University Department of Chemistry Atlanta, GA.

Similar presentations


Presentation on theme: "Ivan Antonov, Beau Barker, Vladimir Bondybey and Michael Heaven Emory University Department of Chemistry Atlanta, GA."— Presentation transcript:

1 Ivan Antonov, Beau Barker, Vladimir Bondybey and Michael Heaven Emory University Department of Chemistry Atlanta, GA

2 D e (cm -1 ) R e (Å) w e (cm -1 ) Ar 2 923.8326 Mg 2 4303.9751 Be 2 929.72.45275.8 Li 2 84402.67351 1S 1u1u 1g1g 2S 2u2u 2g2g Early controversy over an inner “deep” minimum or an outer shallow minimum. Why? Be dimer is a very complicated system...

3 Why + ? 1S 1u1u 1g1g 2S 2u2u 2g2g D e + (cm -1 ) R e (Å) Δ G 1/2 (cm -1 ) Be 2 + exp 16321(40) 498(20) Be 2 + theor 166842.211516 Be 2 Be+Be Be 2 + +e - Be+Be + +e - DeDe De+De+ IP(Be 2 ) IP(Be)

4 Mass-selected REMPI spectrometer

5 PFI-ZEKE time sequence and excitation scheme Extractor Repeller -5.1 V -7.1 V 1 st laser 2 nd laser Gas pulse 1.7 μs Ablation laser

6 Broad PFI-ZEKE scan of Be 2 + First laser at B-X 2-0 transition

7 Rotational structure of Be 2 + at v + =1 line a)Excitation through B-X 2-0 R(1) line b)Excitation through B-X 2-0 R(2) line Ground state of Be 2 + is X 2 Σ u + by nuclear spin symmetry; B 0 =0.760 cm -1 ; r 0 =2.212 Å

8 ΔE=1.6464*F 1/2 IP=59824(2) cm -1 IP from PIE was estimated as 59828(40) cm -1 PFI-ZEKE Determination of IP of Be 2

9 Vibrational levels of Be 2 + RKR inversion turning points of Be 2 + and a Morse curve fit B e =0.765 cm -1 α e =0.0103 cm -1 r e =2.211 Å

10 Measured and calculated constants of Be 2 +

11 D e (cm -1 ) LiBe2420 Li 2 - 7315 Be 2 + 16438 Molecules Isoelectronic to Be 2 + 1S 1u1u 1g1g 2S 2u2u 2g2g

12 Conclusions Be 2 + has (X 2 Σ u + ) ground state IP value of Be 2 is measured at 59 824(2) cm -1 D e + is 16 438 (5) cm -1 Morse potential energy curve is close in form to the vibrational levels of Be 2 + Recent high-level and DFT theoretical calculations are in respectable agreement with Be 2 + parameters Be 2 + has uniquely high bond strength among the isoelectronic diatomic molecules Li 2 - and LiBe Acknowledgements: NSF for funding


Download ppt "Ivan Antonov, Beau Barker, Vladimir Bondybey and Michael Heaven Emory University Department of Chemistry Atlanta, GA."

Similar presentations


Ads by Google