Erratum: Theory of mass-independent fractionation of isotopes, phase space accessibility, and a role of isotopic symmetry (Proceedings of the National Academy of Sciences of the United States of America (2013) 110 (17703-17707) DOI: 10.1073/pnas.1213080110);Theory of mass-independent fractionation of isotopes, phase space accessibility, and a role of isotopic symmetry

Proceedings of the National Academy of Sciences of the United States of America

Volumn 110, Issue 44, 2013, Pages 17703-17707

  Marcus, Rudolph A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTOPE;

EQUILIBRIUM CONSTANT; FRACTIONATION; HYPOBARISM; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; REVIEW;

EID: 84887076299     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1315099110     Document Type: Erratum

References (64)

1. Thiemens MH, Heidenreich JE, 3rd (1983) The massindependent fractionation of oxygen: A novel isotope effect and its possible cosmochemical implications. Science 219(4588): 1073-1075.
2. Heidenreich JE, Thiemens MH (1983) A non-mass-dependent isotope effect in the production of ozone from molecular oxygen. J Chem Phys 78:892-895.
3. Thiemens MH (2006) History and applications of mass-independent isotope effects. Annu Rev Earth Planet Sci 34:217-262.
4. Mauersberger K, Krankowsky D, Janssen C, Schinke R (2005) Assessment of the ozone isotope effect. Adv At Mol Opt Phys 50:1-54.
5. Schinke R, Grebenshchikov SY, Ivanov MV, Fleurat-Lessard P (2006) Dynamical studies of the ozone isotope effect: A status report. Annu Rev Phys Chem 57:625-661.
6. Feilberg KL, Wiegel AA, Boering KA (2013) Probing the unusual isotope effects in ozone formation: Bath gas and pressure dependence of the non-mass-dependent isotope enrichments in ozone. Chem Phys Lett 556:1-8.
7. Janssen C, Guenther J, Mauersberger K, Krankowsky D (2001) Kinetic origin of the ozone isotope effect: A critical analysis of enrichments and rate coefficients. Phys Chem Chem Phys 3:4718-4721.
8. Hathorn BC, Marcus RA (1999) An intramolecular theory of the mass-independent isotope effect for ozone. J Chem Phys 111:4087-4100.
9. Hathorn BC, Marcus RA (2000) An intramolecular theory of the mass-independent isotope effect for ozone. II. Numerical applications at low pressures using a loose transition state. J Chem Phys 113:9497-9509.
10. Gao YQ, Marcus RA (2002) On the theory of the strange and unconventional isotopic effects in ozone formation. J Chem Phys 116:137-154.
11. Gao YQ, Marcus RA (2001) Strange and unconventional isotope effects in ozone formation. Science 293(5528):259-263.
12. Gao YQ, Chen WC, Marcus RA (2002) A theoretical study of ozone isotopic effects using a modified ab initio potential energy surface. J Chem Phys 117:1536-1543.
13. Uzer T (1991) Theories of intramolecular vibrational energy transfer. Physics reports- review section. Phys Lett 2:73-146.
14. Noid DW, Koszykowski ML, Tabor M, Marcus RA (1980) Properties of vibrational energy levels in the quasi periodic and stochastic regimes. J Chem Phys 72:6169-6175.
15. Lichtenberg AJ, Lieberman MA (1983) Regular and Stochastic Motion (Springer, New York).
16. Moser J (1973) Stable and random motions in dynamic systems. Annals of Mathematic Studies, No. Princeton Univ Press, Princeton
17. Siegel CL, Moser JL (1971) Lectures on Celestial Mechanics (Springer, Berlin).
18. Arnold VI, Avez A (1968) Ergodic Problems of Classical Mechanics (Benjamin, New York).
19. Grebenshchikov S, Schinke R, Hase WL (2003) State-specific dynamics of unimolecular dissociation, Comprehensive Chemical Kinetics, Unimolecular Kinetics Part 1. The Reaction Step, ed Green NJB (Elsevier, Amsterdam), Vol 39, M 105-242.
20. Chirikov B (1979) A universal instability of many-dimensional oscillator systems. Phys Rep 52:263-379.
21. Tabor M (1981) The onset of chaos in dynamical systems. Adv Chem Phys 46:73-151.
22. Craig H (1957) Comparison of stable isotope reference samples. Geochim Cosmochim Acta 12:133-149.
23. Matsuhisa Y, Goldsmith JR, Clayton RN (1978) Mechanisms of hydrothermal crystallization of quartz at 250C and 15kbar. Geochim Cosmochim Acta 42:173-182.
24. Mauersberger K, Erbacher B, Krankowsky D, Gunther J, Nickel R (1999) Ozone isotope enrichment: Isotopomer-specific rate coefficients. Science 283(5400):370-372.
25. Mauersberger K, Morton J, Schueler B, Stehr J, Anderson SM (1993) Multi-isotope study of ozone: Implications for the heavy ozone anomaly. Geophys Res Lett 20:1031-1034.
26. Ivanov MV, Babikov D (2013) On molecular origin of massindependent fractionation of oxygen isotopes in the ozone forming recombination reaction. Proc Natl Acad Sci USA 110:17708-17713.
27. Thiemens MH, Jackson T (1990) Pressure dependency for heavy isotope enhancement in ozone formation. Geophys Res Lett 17:717-719.
28. Morton J, Barnes J, Schueler B, Mauersberger K (1990) Laboratory studies of heavy ozone. J Geophys Res 95(D1): 901-907.
29. Hippler M, Rahn R, Troe J (1990) Temperature and pressure dependence of ozone formation rates in the range 1-1000 bar and 90-370 K. J Chem Phys 93:6560-6569.
30. Croce De Cobos AE, Troe J (1984) High-pressure range of the recombination O+O2-O3. Int J Chem Kinet 16:1519-1530.
31. Babikov D, Kendrick B, Walker RB, Schinke R, Pack RT (2003) Quantum origin of an anomalous isotope effect in ozone formation. Chem Phys Lett 372:686-691.
32. Babikov D, Kendrick B, Walker RB, Pack RT (2003) Formation of ozone: Metastable states and anomalous isotope effect. J Chem Phys 119:2577-2589.
33. Vetoshkin E, Babikov D (2007) Semiclassical wave packet treatment of scattering resonances: application to the delta zeropoint energy effect in recombination reactions. Phys Rev Lett 99(13): 138301-138304.
34. Grebenshchikov SY, Schinke R (2009) Towards quantum mechanical description of the unconventional mass-dependent isotope effect in ozone: Resonance recombination in the strong collision approximation. J Chem Phys 131(18):181103-181107.
35. Ivanov MV, Grebenshchikov SY, Schinke R (2009) Quantum mechanical study of vibrational energy transfer in Ar-O3 collisions: Influence of symmetry. J Chem Phys 130(17):174311.
36. Ghaderi N, Marcus RA (2011) Bimolecular recombination reactions: Low pressure rates in terms of time-dependent survival probabilities, total J phase space sampling of trajectories, and comparison with RRKM theory. J Phys Chem B 115(18):5625-5633, 10.1021/jp111833m.
37. Siebert R, Fleurat-Lessard P, Schinke R, Bittererova M, Farantos SC (2002) The vibrational energies of ozone up to the dissociation threshold: Dynamics calculations on an accurate potential energy surface. J Chem Phys 116:9749-9767.
38. Kryvohuz M, Marcus RA (2010) Coriolis coupling as a source of non-RRKM effects in triatomic near-symmetric top molecules: Diffusive intramolecular energy exchange between rotational and vibrational degrees of freedom. J Chem Phys 132(22): 224304-224317.
39. Kryvohuz M, Marcus RA (2010) Coriolis coupling as a source of non-RRKM effects in ozone molecule: Lifetime statistics of vibrationally excited ozone molecules. J Chem Phys 132(22): 224305-224314.
40. Ramaswamy R, Marcus RA (1981) Perturbative examination of avoided crossings. J Chem Phys 74:1379-1384.
41. Ramaswamy R, Marcus RA (1981) On the onset of chaotic motion in deterministic systems. J Chem Phys 74:1385-1393.
42. Noid DW, Koszykowski ML, Marcus RA (1980) Calculations related to quantum stochasticity, an example of overlapping avoided crossings. Chem Phys Lett 73:269-272.
43. Campargue A, Barbe A, De Backer-Barilly M-R, Tyuterev VG, Kassi S (2008) The near infrared spectrum of ozone by CW-cavity ring down spectroscopy between 5850 and 7000 cm(-1): New observations and exhaustive review. Phys Chem Chem Phys 10(20): 2925-2946.
44. De Backer M-R, et al. (2012) Detection and analysis of four new bands in CRDS 16O3 spectra between 7300 and 7600 cm-1. J Mol Spec 272:43-50.
45. Child MS (2001) Quantum level structures and nonlinear classical dynamics. J Mol Spec 210:157-165.
46. Kozin IN, Sadovskii DA, Zhilinskii BI (2004) Assigning vibrational polyads using relative equilibria: Application to ozone. Spectrochim Acta Part A 61:2867-2885.
47. Lu Z-M, Kellman ME (1997) Phase space structure of triatomic molecules. J Chem Phys 107:1-15.
48. Kellman ME, Tyng V (2007) The dance of molecules: New dynamical perspectives on highly excited molecular vibrations. Acc Chem Res 40(4):243-250.
49. Zhai LJ, Zheng YJ, Ding SL (2012) Vibrational chaotic dynamics in triatomic molecules: A comparative study. Front Phys 7(5):514-520.
50. Semparithi A, Charulatha V, Keshavamurthy S (2003) Understanding highly excited states via parametric variations. J Chem Phys 118:1146-1157.
51. Jaffe C, Reinhardt WP (1979) Time independent methods in classical mechanics: Calculation of invariant tori and semiclassical energy levels via classical Van Vleck transformations. J Chem Phys 71:1862-1869.
52. Henon M, Heiles C (1964) The applicability of the third integral of motion: Some numerical experiments. Astron J 69:73-79.
53. Kim HL, Kulp TJ, McDonald JD (1987) Infrared fluorescence study on the threshold of intramolecular vibrational state mixing. J Chem Phys 87(8):4376-4381.
54. Ivanov MV, Schinke R (2005) Temperature dependent energy transfer in Ar-O3 collisions. J Chem Phys 122(23):234318.
55. Ivanov MV, Schinke R (2010) Vibrational energy transfer in Ar-O3 collisions: Comparison of rotational sudden, breathing sphere, and classical calculations. Mol Phys 108:259-268.
56. Janssen C, Guenther J, Krankowsky D, Mauersberger K (2003) Temperature dependence of ozone rate coefficients and isotope fractionation in 16O-18O oxygen mixtures. Chem Phys Lett 367:34-38.
57. Krankowsky D, Lammerzahl P, Mauersberger K (2000) Isotopic measurements of stratospheric ozone. Geophys Res Lett 27:2593-2595.
58. Luther K, Oum K, Troe J (2005) The role of the radical-complex mechanism in the ozone recombination/dissociation reaction. Phys Chem Chem Phys 7(14):2764-2770.
59. Marcus RA (2008) Mass-independent oxygen isotope fractionation, selected systems. Mechanistic considerations. Adv Quantum Chem 55:5-19.
60. Ivanov MV, Schinke R (2006) Recombination of ozone via the chaperon mechanism. J Chem Phys 124(10):104303.
61. Charlo D, Clary DC (2004) Quantum-mechanical calculations on pressure and temperature dependence of three-body recombination reactions: Application to ozone formation rates. J Chem Phys 120(6): 2700-2707.
62. Charlo D, Clary DC (2002) Quantum-mechanical calculations on thermolecular association reactions XY+Z+M-XYZ+M: Application to ozone formation. J Chem Phys 117:1660-1672.
63. Xie T, Bowman JM (2005) Quantum inelastic scattering study of isotope effects in ozone stabilization dynamics. Chem Phys Lett 412:131-134.
64. Pack RT, Walker RB (2004) Some symmetry-induced isotope effects in the kinetics of recombination reactions. J Chem Phys 121(2):800-812.