Skip to main content

Linking Diffraction, XAFS and Spectroscopic Studies on Short Lived Species

  • Conference paper
  • First Online:
The Future of Dynamic Structural Science

Abstract

As we have seen already different spectroscopic and diffraction methods are best suited to studying different processes across a range of timescales. Until recently, time resolved spectroscopy was the preferred option, particularly in solution, while “snapshot” single-crystal crystallographic methods have allowed macromolecular processes to be monitored on the 100 ps timescale [1]. The latter method, of course, requires single crystals of the compound to have been grown. Another method that can be applied successfully to both solution and solid-state time-resolved measurements is EXAFS (Extended X-ray Absorption Fine Structure). EXAFS is part of the more general area of X-ray Absorption Spectroscopy (XAFS) that also includes X-ray Absorption Near Edge Structure (XANES). Thus, for a given chemical or biological system we can probe the structural dynamics over the full range of timescales form picoseconds to the metastable state (Fig. 14.1).

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Perman B, Srajer V, Ren Z, Teng TY, Pradervand C, Ursby T, Bourgeois D, Schotte F, Wulff M, Kort R, Hellingwerf K, Moffat K (1998) Energy transduction on the nanosecond time scale: early structural events in a xanthopsin photocycle. Science 279(5358):1946–1950; Schotte F, Lim MH, Jackson TA, Smirnov AV, Soman J, Olson JS, Phillips GN, Wulff M, Anfinrud PA (2003) Watching a protein as it functions with 150-ps time-resolved X-ray crystallography. Science 300(5627):1944–1947

    Google Scholar 

  2. Novozhilova IV, Volkov AV, Coppens P (2003) Theoretical analysis of the triplet excited state of the [Pt2(H2P2O5)4]4− ion and comparison with time-resolved x-ray and spectroscopic results. J Am Chem Soc 125(4):1079–1087

    Article  CAS  Google Scholar 

  3. Steigman AE, Rice SF, Gray HB, Miskowski VM (1987) Electronic spectroscopy of D8–D8 diplatinum complexes – 1A2U(DSIGMA STAR- P-SIGMA), 3EU(DXZ, DYZ- P-SIGMA), and 3,1B2U(DSIGMA STAR- DX2–Y2) excited-states of Pt2(P2O5H2)4 4-. Inorg Chem 26(7):1112–1116

    Article  Google Scholar 

  4. Coppens P, Novozhilova I, Kovalevsky A (2002) Photoinduced linkage isomers of transition-metal nitrosyl compounds and related complexes. Chem Rev 102(4):861–883

    Article  CAS  Google Scholar 

  5. Thiel DJ, Livins P, Stern EA, Lewis A (1993) Microsecond-resolved XAFS of the triplet excited-state of PT2(P2O5H2)4 4−. Nature 362(6415):40–43

    Article  CAS  Google Scholar 

  6. Chen LX, Shaw GB, Novozhilova I, Liu T, Jennings G, Attenkofer K, Meyer GJ, Coppens P (2003) MLCT state structure and dynamics of a copper(I) diimine complex characterized by pump-probe X-ray and laser spectroscopies and DFT calculations. J Am Chem Soc 125(23):7022–7034

    Article  CAS  Google Scholar 

  7. Coppens P, Vorontsov II, Graber T, Kovalevsky AY, Chen YS, Wu G, Gembicky M, Novozhilova IV (2004) Geometry changes of a Cu(I) phenanthroline complex on photoexcitation in a confining medium by time-resolved x-ray diffraction. J Am Chem Soc 126(19):5980–5981

    Article  CAS  Google Scholar 

  8. Towrie M, Parker AW, Ronayne KL, Bowes KF, Cole JM, Raithby PR, Warren JE (2009) A time-resolved infrared vibrational spectroscopic study of the photo-dynamics of crystalline materials. Appl Spectrosc 63(1):57–65

    Article  CAS  Google Scholar 

  9. George MW, Johnson FPA, Westwell JR, Hodges PM, Turner JJ (1993) Excited-state properties and reactivity of ReCl(CO)3(2,2′-BIPY) (2,2′-BIPY = 2,2′-BIPYRIDYL) studied by time-resolved infrared-spectrzoscopy. J Chem Soc-Dalton Trans 19:2977–2979

    Article  Google Scholar 

  10. Coppens P, Gerlits O, Vorontsov II, Kovalevsky AY, Chen YS, Graber T, Gembicky M, Novozhilova IV (2004) A very large Rh-Rh bond shortening on excitation of the [Rh2(1,8-diisocyano-p-menthane)4]2+ ion by time-resolved synchrotron X-ray diffraction. Chem Commun 19:2144–2145

    Article  Google Scholar 

  11. Byrnes MJ, Chisholm MH, Gallucci JA, Liu Y, Ramnauth R, Turro C (2005) Observation of (MLCT)-M-1 and (MLCT)-M-3 excited states in quadruply bonded Mo2 and W2 complexes. J Am Chem Soc 127(49):17343–17352

    Article  CAS  Google Scholar 

  12. Burdzinski GT, Ramnauth R, Chisholm MH, Gustafson TL (2006) Direct observation of a (MLCT)-M-1 state by ultrafast transient absorption spectroscopy in Mo2(O2C-9-anthracene)4. J Am Chem Soc 128(21):6776–6777

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Paul R. Raithby .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2014 Springer Science+Business Media Dordrecht

About this paper

Cite this paper

Raithby, P.R. (2014). Linking Diffraction, XAFS and Spectroscopic Studies on Short Lived Species. In: Howard, J., Sparkes, H., Raithby, P., Churakov, A. (eds) The Future of Dynamic Structural Science. NATO Science for Peace and Security Series A: Chemistry and Biology. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-8550-1_14

Download citation

Publish with us

Policies and ethics