Skip to main content

EPR Studies of Atomic Impurities in Rare Gas Matrices

  • Chapter
EPR of Free Radicals in Solids II

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 25))

  • 1232 Accesses

Abstract

In this article we give an overview of the matrix isolation technique combined with electron paramagnetic resonance (EPR) detection for embedded atomic impurities in solid rare gases. A special emphasis is put on impurity – matrix coupling effects combining both experimental and theoretical approaches.

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 219.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 279.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 279.99
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. Weltner W Jr (1983) Magnetic atoms and molecules. Dover Publications, New York

    Google Scholar 

  2. Whittle E, Dows D, Pimentel G (1954) Matrix isolation method for the experimental study of unstable species. J Chem Phys 22:1943–1944

    CAS  Google Scholar 

  3. Jacox M (2011) Vibrational and electronic energy levels of polyatomic transient molecules. http://webbook.nist.gov/chemistry/polyatom/. Accessed 7 Jul 2011

  4. Bass A, Broida H (eds) (1960) Frormation and trapping of free radicals. Academic, New York

    Google Scholar 

  5. Palaszewski P, Ianovski L, Garrick P (1998) Propellant technologies: far-reaching benefits for aeronautical and space-vehicle propulsion. J Propul Power 14:641–648

    Article  CAS  Google Scholar 

  6. Tam S, Macler M, DeRose M, Fajardo M (2000) Electronic spectroscopy of B atoms and B2 molecules isolated in para-H2, normal-D2, Ne, Ar, Kr, and Xe matrices. J Chem Phys 113:9067–9078

    Article  CAS  Google Scholar 

  7. Khriachtchev L, Pettersson M, Runeberg N, Lundell J, Räsänen M (2000) A stable argon compound. Nature 406:874–876

    Article  CAS  Google Scholar 

  8. Pettersson M, Lundell J, Räsänen M (1999) New rare-gas-containing neutral molecules. Eur J Inorg Chem 1999:729–737

    Article  Google Scholar 

  9. Boltnev R, Gordon E, Khmelenko V, Krushinskaya I, Martynenko M, Pelmenev A, Popov E, Shestakov A (1994) Luminescence of nitrogen and neon atoms isolated in solid helium. Chem Phys 189:367–382

    Article  CAS  Google Scholar 

  10. Boltnev R, Bernard E, Järvinen J, Khmelenko V, Lee D (2009) Stabilization of hydrogen atoms in aggregates of krypton nanoclusters immersed in superfluid helium. Phys Rev B 79:180506

    Article  Google Scholar 

  11. Gordon E, Mezhov-Deglin L, Pugachev O (1974) Stabilization of nitrogen atoms in superfluid helium. JETP Lett 19:63–65

    Google Scholar 

  12. Gordon E, Khmelenko V, Popov E, Pelmenev A, Pugachev O (1989) Impurity-helium van der Waals crystals. Chem Phys Lett 155:301–304

    Article  CAS  Google Scholar 

  13. Khmelenko V, Lee D, Vasiliev S (2011) Matrix isolation of h atoms at low temperatures. J Low Temp Phys 162:105–120

    Article  CAS  Google Scholar 

  14. Kiryukhin V, Keimer B, Boltnev R, Khmelenko V, Gordon E (1997) Inert-gas solids with nanoscale porosity. Phys Rev Lett 79:1774–1777

    Article  CAS  Google Scholar 

  15. Popov E, Eloranta J, Ahokas J, Kunttu H (2003) On the formation mechanism of impurity-helium solids: evidence for extensive clustering. Low Temp Phys 29:510–514

    Article  CAS  Google Scholar 

  16. Apkarian V, Schwentner N (1999) Molecular photodynamics in rare gas solids. Chem Rev 99:1481–1514

    Article  CAS  Google Scholar 

  17. Chipman D (1992) The spin polarization model for hyperfine coupling constants. Theor Chim Acta 82:93–115

    Article  CAS  Google Scholar 

  18. Feller D (1990) An ab initio study of the magnetic hyperfine properties of F2  −  (2 Σ u  + ). J Chem Phys 93:579–589

    Article  CAS  Google Scholar 

  19. Feller D, Glendening E, Cullough EM Jr, Miller R (1993) A comparison of unrestricted Hartree-Fock and restricted openshell Hartree-Fockbased methods for determining the magnetic hyperfine parameters of NO (X2 Π). J Chem Phys 99:2829–2840

    Article  CAS  Google Scholar 

  20. Ahokas J, Kiljunen T, Eloranta J, Kunttu H, Khriachtchev L, Pettersson M, Räsänen M (2000) Electronic structure and short-range recombination dynamics of S2 in solid argon. J Chem Phys 112:7475–7482

    Article  Google Scholar 

  21. Kiljunen T, Eloranta J, Kunttu H (1999) Ab initio and molecular-dynamics studies on rare gas hydrides: potential-energy curves, isotropic hyperfine properties, and matrix cage trapping of atomic hydrogen. J Chem Phys 110:11814–11822

    Article  CAS  Google Scholar 

  22. Kiljunen T, Eloranta J, Ahokas J, Kunttu H (2001) Magnetic properties of atomic boron in rare gas matrices: an electron paramagnetic resonance study with ab initio and diatomics-in-molecules molecular dynamics analysis. J Chem Phys 114:7144–7156

    Article  CAS  Google Scholar 

  23. Dunkin I (1998) Matrix-isolation techniques: a practical approach. Oxford University Press, New York

    Google Scholar 

  24. Weil J, Bolton J, Wertz J (1994) Electron paramagnetic resonance: elementary theory and practical applications. Wiley, New York

    Google Scholar 

  25. Foner S, Cochran E, Bowers V, Jen C (1960) Multiple trapping sites for hydrogen atoms in rare gas matrices. J Chem Phys 32:963–971

    Article  CAS  Google Scholar 

  26. Eloranta J, Vaskonen K, Häkkänen H, Kiljunen T, Kunttu H (1998) 193 nm photodynamics of NO in rare gas matrices: fluorescence, thermoluminescence, and photodissociation. J Chem Phys 109:7784–7792

    Article  CAS  Google Scholar 

  27. Eloranta J, Vaskonen K, Kunttu H (1999) Photogeneration of atomic hydrogen in rare gas matrices. J Chem Phys 110:7917–7925

    Article  CAS  Google Scholar 

  28. Vaskonen K, Eloranta J, Kunttu H (1999) Trapping of laser-vaporized alkali metal atoms in rare-gas matrices. Chem Phys Lett 310:245–251

    Article  CAS  Google Scholar 

  29. Vaskonen K, Eloranta J, Kiljunen T, Kunttu H (1999) Thermal mobility of atomic hydrogen in solid argon and krypton matrices. J Chem Phys 110:2122–2128

    Article  CAS  Google Scholar 

  30. Adrian F (1960) Matrix effects on the electron spin resonance spectra of trapped hydrogen atoms. J Chem Phys 32:972–981

    Article  CAS  Google Scholar 

  31. Schrimpf A, Rosendahl R, Bornemann T, Stöckmann HJ, Faller F, Manceron L (1992) Thermally activated processes in Li doped Ar matrices studied by electronic spin-lattice relaxation. J Chem Phys 96:7992–7999

    Article  CAS  Google Scholar 

  32. Eloranta J (2011) Xemr – a general purpose electron magnetic resonance software. Available at: http://sourceforge.net/projects/xemr/files/. Accessed 7 Jul 2011

  33. Kasai P, McLeod D Jr (1971) ESR studies of Cu, Ag, and Au atoms isolated in raregas matrices. J Chem Phys 55:1566–1575

    Article  CAS  Google Scholar 

  34. Feldman V, Sukhov F, Orlov A (2008) Hydrogen atoms in solid xenon: trapping site structure, distribution, and stability as revealed by EPR studies in monoisotopic and isotopically enriched xenon matrices. J Chem Phys 128:214511

    Article  Google Scholar 

  35. Jen C, Bowers V, Cochran E, Foner S (1962) Electron spin resonance of alkali atoms in inert-gas matrices. Phys Rev 126:1749–1757

    Article  CAS  Google Scholar 

  36. Garland D, Lindsay D (1984) ESR spectra of matrix isolated Li7 clusters. J Chem Phys 80:4761–4766

    Article  CAS  Google Scholar 

  37. Thompson G, Tischler F, Lindsay D (1983) Matrix ESR spectra of polyatomic alkali metal clusters. J Chem Phys 78:5946–5953

    Article  CAS  Google Scholar 

  38. Thompson G, Lindsay D (1981) ESR spectra of matrix isolated potassium atom clusters. J Chem Phys 74:959–968

    Article  CAS  Google Scholar 

  39. Bach S, Garland D, Zee RV, Weltner W Jr (1987) Ag7 cluster: pentagonal bipyramid. J Chem Phys 87:869–872

    Article  CAS  Google Scholar 

  40. Zee RV, Weltner W Jr (1990) Cu7 cluster: pentagonal bipyramid. J Chem Phys 92:6976–6977

    Article  Google Scholar 

  41. Knight L Jr, Rice W, Moore L, Davidson E, Dailey R (1998) Theoretical and electron spin resonance studies of the H…H, H…D, and D…D spin-pair radicals in rare gas matrices: a case of extreme singlettriplet mixing. J Chem Phys 109:1409–1424

    Article  CAS  Google Scholar 

  42. Cole T, McConnell H (1958) Zero field splittings in atomic nitrogen at 4.2 K. J Chem Phys 29:451–452

    Article  CAS  Google Scholar 

  43. Jackel G, Nelson W, Gordy W (1968) Matrix perturbations of the ESR of trapped H, N, P, and As atoms at 4.2 K. Phys Rev 176:453–460

    Article  CAS  Google Scholar 

  44. Boltnev R, Krushinskaya I, Pelmenev A, Popov E, Stolyarov D (2005) Study of the stabilization and recombination of nitrogen atoms in impurityhelium condensates. Low Temp Phys 31:547–555

    Article  CAS  Google Scholar 

  45. Popov E, Gordon R, Khmelenko V, Martynenko M, Pelmenev A, Shidov E (1996) Cooperative effects in the low temperature optical and esr spectroscopy of atoms isolated in helium matrix. In: 2nd International conference on temperature chemistry, Kansas City, p 145

    Google Scholar 

  46. Knight L Jr, Bell B, Cobranchi D, Davidson E (1999) Electron spin resonance and theoretical studies of the 14N…14N and 15N…15N spin-pair radicals in neon matrices: the effects of mixing among the 1 Σ g  + , 3 Σ u  + , 5 Σ g  + , and 7 Σ u  +  electronic states. J Chem Phys 111:3145–3154

    Article  CAS  Google Scholar 

  47. Kasai P (1968) Generation and trapping of charged species in rare-gas matrix at 4 K: ESR spectra of Cd + , Cr + , and Mn + . Phys Rev Lett 21:67–69

    Article  CAS  Google Scholar 

  48. Morton J, Preston K, Strach S, Adrian F, Jette A (1979) Anisotropic hyperfine interactions of raregas nuclei near trapped hydrogen atoms. J Chem Phys 70:2889–2893

    Article  CAS  Google Scholar 

  49. Ammeter J, Schlosnagle D (1973) Electronic quenching of Al and Ga atoms isolated in rare gas matrices. J Chem Phys 59:4784–4820

    Article  CAS  Google Scholar 

  50. Graham W, Weltner W Jr (1976) B atoms, B2 and H2BO molecules: ESR and optical spectra at 4 K. J Chem Phys 65:1516–1521

    Article  CAS  Google Scholar 

  51. LB Knight J, Weltner W Jr (1971) ESR and optical spectroscopy of the AlO molecule at 4 K; Observation of an Al complex and its interaction with krypton. J Chem Phys 55:5066–5077

    Google Scholar 

  52. Boate A, Morton J, Preston K (1978) EPR spectrum of Kr2F. Chem Phys Lett 54:579–581

    Article  CAS  Google Scholar 

  53. Bhat S, Weltner W Jr (1980) ESR of matrix isolated bromine atoms produced in the H + Br2 reaction. J Chem Phys 73:1498–1502

    Article  CAS  Google Scholar 

  54. Iwasaki M, Toriyama K, Muto H (1979) Electron spin resonance of 127I atoms trapped in Xe matrices. J Chem Phys 71:2853–2859

    Article  CAS  Google Scholar 

  55. Woon D, Dunning T Jr (1994) Gaussian basis sets for use in correlated molecular calculations. IV. calculation of static electrical response properties. J Chem Phys 100:2975–2988

    CAS  Google Scholar 

  56. Nicklass A, Dolg M, Stoll H, Preuss H (1995) Ab initio energyadjusted pseudopotentials for the noble gases Ne through Xe: calculation of atomic dipole and quadrupole polarizabilities. J Chem Phys 102:8942–8952

    Article  CAS  Google Scholar 

  57. Mcweeny R (1992) Methods of molecular quantum mechanics, 2nd edn. Academic, London

    Google Scholar 

  58. Jensen F (1999) Introduction to computational chemistry. Wiley, New York

    Google Scholar 

  59. Boys S, Bernardi F (1970) Calculation of small molecular interactions by differences of separate total energies – some procedures with reduced errors. Mol Phys 19:553–566

    Article  CAS  Google Scholar 

  60. Berning A, Schweizer M, Werner HJ, Knowles P (2000) Spin-orbit matrix elements for internally contracted multireference conguration interaction wave functions. Mol Phys 98:1823–1833

    Article  CAS  Google Scholar 

  61. Harriman J (1978) Theoretical foundations of electron spin resonance. Academic, New York

    Google Scholar 

  62. Anderson E, Bai Z, Bischof C (1999) LAPACK users’ guide, 3rd edn. Society for industrial and applied mathematics, Philadelphia

    Google Scholar 

  63. Condon E, Shortley G (1970) The theory of atomic spectra. Cambridge University Press, Cambridge

    Google Scholar 

  64. Frigo M, Johnson S (2005) The design and implementation of FFTW3. Proc IEEE 93(2):216–231, special issue on “Program generation, optimization, and platform adaptation”

    Google Scholar 

  65. Du JL, Eaton G, Eaton S (1995) Temperature and orientation dependence of electron-spin relaxation rates for bis(diethyldithiocarbamato)copper(II). J Magn Reson A 117:67–72

    Article  CAS  Google Scholar 

  66. Kirste B (1992) Methods for automated analysis and simulation of electron paramagnetic resonance spectra. Anal Chim Acta 265:191–200

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Henrik Kunttu .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2012 Springer Science+Business Media Dordrecht

About this chapter

Cite this chapter

Kunttu, H., Eloranta, J. (2012). EPR Studies of Atomic Impurities in Rare Gas Matrices. In: Lund, A., Shiotani, M. (eds) EPR of Free Radicals in Solids II. Progress in Theoretical Chemistry and Physics, vol 25. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-4887-3_1

Download citation

Publish with us

Policies and ethics