Isotope effects in chemistry

Van Hook, W. A.

Powiadomienia systemowe

Sesja wygasła!

Artykuł - szczegóły

Tytuł artykułu

Isotope effects in chemistry

Autorzy

Van Hook W. A.

Treść / Zawartość

Pełne teksty:

van hook_Isotope effects in chemistry.pdf

Pobierz

Identyfikatory

Warianty tytułu

Języki publikacji

Abstrakty

Isotope effects on chemical equilibria, reaction rates and molecular properties are reviewed together with the theoretical formalism for understanding such effects.

Słowa kluczowe

isotope effects stable isotopes kinetic isotope effects

Wydawca

Institute of Nuclear Chemistry and Technology

Czasopismo

Nukleonika

Rocznik

2011

Tom

Vol. 56, No. 3

Strony

217--240

Opis fizyczny

Bibliogr. 127 poz., rys.

Twórcy

autor

Van Hook W. A.

Department of Chemistry, University of Tennessee, Knoxville, TN 37996, USA, Tel.: 865 588 0951, avanhook@utk.edu

Bibliografia

1. Alei M, Wagman W (1978) Gas phase 13C chemical shifts and coupling constants in the deuteromethanes. J Chem Phys 68:783–784
2. Allison TC, Truhlar DG (1998) Testing the accuracy of practical semiclassical methods: variational transition state theory with optimized multidimensional tunneling. In: Thompson DL (ed) Modern methods for multidimensional dynamics computations in chemistry. World Scientific, Singapore, pp 618–712
3. Aston FW (1922) Mass spectra and isotopy. Nobel lecture, December 12, 1922
4. Bardo RD, Wolfsberg M (1965) A theoretical calculation of the equilibrium constant for the isotopic exchange reaction between H2 O and HD. J Phys Chem 80:1068–1071
5. Bardo RD, Wolfsberg M (1976) The nuclear mass dependence of the adiabatic correction to the Born-Oppenheimer approximation. J Chem Phys 62:4555–4558
6. Bartell LS, Roskos RR (1966) Isotope effects on molar volume and surface tension: simple theoretical model and experimental data for hydrocarbons. J Chem Phys 44:457–463
7. Bates FS, Wilthuis P (1989) Spinodal decomposition of a symmetric critical mixture of a deuterated and protonated polymer. J Chem Phys 91:3258–3275
8. Bell RP, Coop IE (1938) The dipole moments of hydrogen and deuterium chlorides. Trans Faraday Soc 34:1209–1214
9. Benedict M, Pigford M, Levi HW (1981) Nuclear chemical engineering, 2nd ed. McGraw-Hill, New York
10. Bigeleisen J (1949) The relative reaction velocities of isotopic molecules. J Chem Phys 17:675–679
11. Bigeleisen J (1961) Statistical mechanics of isotope effects on the thermodynamic properties of condensed systems. J Chem Phys 34:1485–1493
12. Bigeleisen J (1996) Nuclear size and shape effects in chemical reactions. Isotope chemistry of the heavy elements. J Am Chem Soc 118:3676–3680
13. Bigeleisen J, Fuks S, Ribnikar SV, Yato Y (1977) Vapor pressures of the isotopic ethylenes. V. Solid and liquid ethylene d1, ethylene d2 (cis, trans and gem), ethylene d3 and ethylene d4. J Chem Phys 66:1689–1700
14. Bigeleisen J, Lee MW, Mandel F (1973) Equilibrium isotope effects. Annu Rev Phys Chem 407–440
15. Bigeleisen J, Mayer MG (1947) Calculation of equilibrium constants for isotope exchange reactions. J Chem Phys 15:261–267
16. Bigeleisen J, Wolfsberg M (1958) Theoretical and experimental aspects of isotope effects in chemical kinetics. Adv Chem Phys 1:15–76
17. Born M, Oppenheimer JR (1927) Zur Quantentheorie der Molekeln. Ann Phys Leipz 84:457–484
18. Cleland WW (2006) Enzyme mechanisms from isotope effects. In: Cohen A, Limbach HH (eds) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 37, pp 915–930
19. Cleland WW, O’Leary MH, Northrop DB (1977) Isotope effects on enzyme-catalyzed reactions. University Park Press, Baltimore
20. Cohen K (1951) Theory of isotope separation. McGraw Hill, New York
21. Collins CJ, Bowman NS (eds) (1970) Isotope effects in chemical reactions. Van Nostrand Rheinhold, New York
22. Cook PF (1991) Enzyme mechanism from isotope effects. CRC Press, Boca Raton
23. Cook PF, Cleland WW (2007) Enzyme kinetics and mechanism. Garland Science/Taylor and Francis, London
24. Cramer CJ (2004) Essentials of computational chemistry. Wiley-VCH, New York
25. Criss RE (1999) Principles of stable isotope distribution. Oxford University Press, Oxford
26. DeNiro MJ (1987) Stable isotope and archeology. Am Scientist 75:182–191
27. Diehl P, Fluck E, Gunter H, Kosfield R, Seelig J (eds) (1990) Isotope effects in NMR spectroscopy. Vol. 22. Springer Verlag, Berlin
28. Dutta-Choudhury MK, Miljević N, Van Hook WA (1982) Isotope effects in aqueous solutions. The hydrophobic interaction. Some thermodynamic properties of benzene-water and toluene/water solutions and their isotope effects. J Phys Chem 86:1711–1721
29. Dutta-Choudhury MK, Van Hook WA (1980) Isotope effects in aqueous solutions. 11. Excess volumes in H2O/ D2O mixtures. The apparent molar volume of NaCl in an H2O/D2O mixture. J Phys Chem 84:2735–2740
30. Fajans K (1913) Radioactive transformations and the periodic system of the elements. Ber Dtsch Chem Ges 46:422–439
31. Fujii Y, Nomura M, Okomoto M, Onitsuka H, Kawakami F, Takeda K (1989) An anomalous isotope effect of uranium-235 in uranium(IV)-uranium(VI) chemical exchange. Z Naturforsch 44:395–398
32. Gajewski JJ, Peterson KB, Kagel JR, Huang YCJ (1989) Transition-state structure in the Diels-Alder reaction from secondary deuterium kinetic isotope effects. The reaction of nearly symmetrical dienes and dienophiles is nearly synchronous. J Am Chem Soc 111:9078–9081
33. Galimov EM (1985) The biological fractionation of isotopes. Academic Press, New York
34. Gao YQ, Marcus RA (2002) On the strange and unconventional isotopic effect in ozone formation. J Chem Phys 116:137–153
35. Giauque WF, Johnston HL (1929) An isotope of oxygen, mass 18. Interpretation of the atmospheric absorption bands. J Am Chem Soc 51:1436–1441
36. Giauque WF, Johnston HL (1929) An isotope of oxygen, mass 17, in the Earth’s atmosphere. J Am Chem Soc 51:3528–3534
37. Glasstone S, Laidler K, Eyring H (1941) The theory of rate processes. McGraw Hill, New York 38. Gruneisen E (1926) The equation of state for solids. Hanbuch der Physik 10:1–59
39. Hansen PE (2006) NMR studies of isotope effects of compounds with intramolecular hydrogen bonds. In: Kohen A, Limbach HH (eds) (2006) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 9, pp 253–280
40. Harkins WD, Hayes A (1921) The separation of the element chlorine into isotopes (isotopic elements). J Am Chem Soc 43:1803–1825
41. Harkins WD, Wilson ED (1915) The changes in mass and weight involved in the formation of complex atoms. (First paper on atomic structure). J Am Chem Soc 37:1367–1383
42. Harkins WD, Wilson ED (1915) The structure of complex atoms. The hydrogen-helium system. (Second paper on atomic structure). J Am Chem Soc 37:1383–1396
43. Harkins WD, Wilson ED (1915) Recent work on the structure of the atom. (Third paper on atomic structure). J Am Chem Soc 37:1396–1421
44. Hengge AC (2006) Secondary isotope effects. In: Kohen A, Limbach HH (eds) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 39, pp 953–974
45. Hirschi J, Singleton DA (2005) The normal range for secondary Sawin-Schaad exponents without tunneling or kinetic complexity. J Am Chem Soc 127:3294–3295
46. Hoefs J (1973) Stable isotope geochemistry. Springer Verlag, New York
47. Hoepfner A (1969) Vapor pressure isotope effects. Angewandte Chem. English ed. 8, pp 689–699
48. Houk KN, Gonzalez J, Li Y (1995) Pericyclic reaction transition states: passions and punctilios, 1935–1995. Acc Chem Res 28:81–90
49. Imre A, Van Hook WA (1996) Liquid-liquid demixing from solutions of polystyrene. 1. A review. 2. Improved correlation with solvent properties. J Phys Chem Ref Data 25:637–661
50. Ishida T, Fujii Y (2006) Enrichment of isotopes. In: Kohen A, Limbach HH (eds) (2006) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 2, pp 41–87
51. Jakli Gy, Juhasz P, Jancso G (1983) Deuterium vapor pressure isotope effect in bromoform. Acta Chim Hung 114:133–148
52. Jakli Gy, Tzias P, Van Hook WA (1977) Vapor pressure isotope effects in the benzene(B)-cyclohexane (C) system from 5 to 80 degree C. I. The pure liquids B-d0, B-d1, ortho, meta, and para B-d2, B-d6, C-d0 and C-d12. II. Excess free energies and isotope effects on excess free energies in the solutions B-h6/B-d6, C-h12/C-d12, B-h6/C-h12, B-d6/C-h12 and B-h6/C-d12. J Chem Phys 68:3177–3190
53. Jameson CJ (2004) Theoretical and physical aspects of nuclear shielding. Nucl Magn Reson 33:47–75
54. Jancso G (2003) Isotope effects. In: Vertes A, Nagy S, Klencsar Z (eds) Handbook of isotope chemistry. Kluwer Academic Pub, Dordrecht 4:85–116
55. Jancso G, Jakli Gy, Fetzer Cs (1983) Vapor pressure isotope effects of chloroform. Z Naturforsch 38A:184–190
56. Jancso G, Rebelo LPN, Van Hook WA (1993) Isotope effects in solution thermodynamics: excess properties in solutions of isotopomers. Chem Rev 93:2645–2666
57. Jancso G, Rebelo LPN, Van Hook WA (1994) Nonideality in isotopic mixtures. Chem Soc Rev 23:257–264
58. Jancso G, Van Hook WA (1974) Condensed phase isotope effects (especially vapor pressure isotope effects). Chem Rev 74:689–750
59. Jancso G, Van Hook WA (1977) 13C and 33,34S isotope effects on the vapor pressure of liquid carbon disulfide. Can J Chem 55:3371–3376
60. Jancso G, Van Hook WA (1978) The effect of condensation on vibrational anharmonicity as determined by the vapor pressure isotope effect. J Mol Struct 48:107–113 Isotope effects in chemistry 239
61. Jancso G, Van Hook WA (1978-II) Vapor pressure isotope effects in benzene-cyclohexane systems. III. Theoretical analysis. J Chem Phys 68:3191–3202
62. King AS, Birge RT (1930) Evidence from band spectra of the existence of a cabon isotope of mass 13. Astrophys J 72:19–40
63. Kiss I, Jancso G, Jakli Gy (1976) Goznyomas izotopeffektus es intermolekularis kolcsonhatasok. Akademiai Kiado, Budapest
64. Kohen A (2006) Kinetic isotope effects as probes for hydrogen tunneling in enzyme catalysis. In: Kohen A, Limbach HH (eds) (2006) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 28, pp 743–764
65. Kohen A, Limbach HH (eds) (2006) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton
66. Kooner Z, Van Hook WA (1988) Isotope effects of simple fluids. Pressure-volume-temperature properties of benzene/deuterobenzene, acetone/acetone-d3, and methanol/methanol-d1 from 0.1 MPa and 298 K to critical conditions or to 570 K and 6 MPa, whichever is less. J Phys Chem 92:6414–6426
67. Lindemann FA (1919) Note on the vapor pressure and affinity of isotopes. Philos Mag 38:173–181
68. Lindemann FA, Aston FW (1919) The possibility of separating isotopes. Philos Mag 37:523–534
69. Lopes JNC, Padua AAH, Rebelo LPN, Bigeleisen J (2003) Calculation of vapor pressure isotope effects in the rare gases and their mixtures using an integral equation theory. J Chem Phys 118:5028–5037
70. Lowe BM, Smith DG (1975) Dissociation constant of benzoic acid in H2O and D2 O mixtures. J Chem Soc Faraday Trans 71:389–397
71. Maciej T, Yamakawa M, Meller J et al. (2003) Deuterium isotope effects on hydrophobic interactions: the importance of dispersion interactions in the hydrophobic phase. J Am Chem Soc 125:13836–13849
72. Maessen B, Wolfsberg M (1983) Estimation of dielectric shifts in infra-red spectra of pure liquids for use in the evaluation of vapor pressure isotope effects. Z Naturforsch 38A:191–195
73. Marcus RA, Coltrin ME (1977) A new tunneling path for reactions such as H + H2→ H2 + H. J Chem Phys 67:2609–2614
74. Matsuo S, Van Hook WA (1984) Isothermal compressibilities of benzene-h6, benzene-d6, cyclohexane-h12, cyclohexane-d12 and their mixtures from 0 to 30 MPa at 288, 298 and 313 K. J Phys Chem 88:1032–1040
75. Melander L, Saunders WH Jr (1980) Reaction rates of isotopic molecules. John Wiley and Sons, New York
76. Mielke KL, Peterson KA, Schwenke DW et al. (2003) H + H2 thermal reaction: a convergence of theory and experiment. Phys Rev Lett 91:063201/1–4
77. Moseley HGJ (1913, 1914) The high frequency spectra of the elements. Philos Mag 26:1024–1034; 27:703–713
78. Mulliken RS (1925) The isotope effect in band spectra, parts I, II, and III. Phys Rev 25:119–138; 25:259–296; 26:1–34
79. Naude R (1929) An isotope of nitrogen, mass 15. Phys Rev 34:1498–1499
80. Northrop DB (2006) Effects of high hydrostatic pressure on isotope effects. In: Kohen A, Limbach HH (eds) (2006) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 32, pp 837–846
81. Paabo M, Bates RC (1970) Deuterium isotope effects and the dissociation of deuterio-phosphoric acid from 5 to 50 deg. J Phys Chem 74:706–710
82. Quinn DM (2006) Theory and practice of solvent isotope effects. In: Kohen A, Limbach HH (eds) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 41, pp 995–1018
83. Rabinovich IB (1970) Influence of isotopy on the physico-chemical properties of liquids. Consultants Bureau, New York
84. Raynes WT, Fowler PW, Lazzaretti P, Zanasi R, Grayson M (1988) The effects of rotation and vibration on the carbon-13 shielding, magnetizabilities and geometric parameters of some methane isotopomers. Mol Phys 64:143–162
85. Richardson SM, McSween HY Jr (1989) Geochemistry, pathways and processes. Prentice Hall, Englewood Cliffs, New Jork
86. Ridley BA, Schultz WR, Le Roy DJ (1966) The kinetics of the reaction D + H2 = HD + H. J Chem Phys 44:3344–3347
87. Roth JP, Klinman JP (2006) Oxygen-18 isotope effects as a probe of enzymatic activation of molecular oxygen. In: Kohen A, Limbach HH (eds) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 24, pp 645–670
88. Schachtsneider JH, Snyder RG (1963) Vibrational analysis of the n-paraffins. II. Normal coordinate calculations. Spectrochim Acta 19:117–168
89. Scharlin P, Battino R (1992) Solubility of 13 nonpolar gases in deuterium oxide at 15 to 45°C and 101.325 kPa. Thermodynamics of transfer from H2O to D2 O. J Solution Chem 21:67–91
90. Scharlin P, Battino R (1994) Solubility of Ccl2 F2, CClF3, CF4 and c-C4F8 in H2O and D2
O at 288 to 318 K and 101.325 kPa. Thermodynamics of transfer from H2O to D2O. Fluid Phase Equilib 94:137–147
91. Shakleton NJ, Imbrie J, Pisais N (1988) The evolution of oceanic oxygen isotope variability in the north Atlantic over the past three million years. Philos Trans R Soc London, Ser B Biological Sci 318:679–688
92. Shiner VJ, Rapp MW, Halevi EA, Wolfsberg M (1968) Solvolytic α-deuterium effects for different leaving groups. J Am Chem Soc 90:7171–7172
93. Singh RR, Van Hook WA (1987) Excess free energies in solutions of isotopic isomers. III. Solutions of deuterated and protiated polymers. Macromolecules 20:1855–1859
94. Soddy F (1913) Inter-atomic charge. Nature 92:399–400
95. Stern MJ, Van Hook WA, Wolfsberg M (1963) Isotope effects on internal frequencies in the condensed phase resulting from interactions with the hindered translations and rotations. The vapor pressures of the isotopic ethylenes. J Chem Phys 39:3179–3196
96. Stern MJ, Wolfsberg M (1966) On the absence of isotope effects in the absence of force constant changes. J Chem Phys 45:2618–2629
97. Streitweiser A Jr, Jagow RH, Suzuki S (1958) Kinetic isotope effects in the acetolyses of deuterated cyclopentyl tosylates. J Am Chem Soc 80:2416–2419
98. Swain CG, Stivers EC, Reuwer JF Jr, Schaad LJ (1958) Use of hydrogen isotope effects to identify the attacking nucleophile in the enolization of ketones catalyzed by acetic acid. J Am Chem Soc 80:5885–5893
99. Thiemens MH (2006) History and applications of mass independent isotope effects. Ann Rev Earth Sci 34:217–262
100. Thiemens MH, Heidenriech JE (1983) The mass independent fractionation of ozone. A novel isotope effect and its possible cosmochemical implications. Science 219:1073–1075
101. Truhlar DG (2006) Variational transition state theory and multidimensional tunneling for simple and complex reactions in the gas phase, solids, liquids and enzymes. In: Kohen A, Limbach HH (eds) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 22, pp 577–619 240 W. A. Van Hook
102. Urbanczyk A, Van Hook WA (1996) Continuous dilution differential refractometry at useful precision. Isotope effects on polarizability. A new method to determine excess volumes. Application to (water + deuterium oxide), (acetone + d6-acetone) and (water + acetone) at T = 298.15 K and λ = (470, 520, 559 and 650) nm. J Chem Thermodyn 28:987–1008
103. Urbanczyk A, Van Hook WA (1996) The correlation of excess molar refraction and excess volume for some binary solutions. A new approach. J Chem Thermodyn 28:975–986
104. Urey HC, Brickwedde HG, Murphy GM (1932) A hydrogen isotope of mass 2. Phys Rev 39:164–165
105. Urey HC, Lowenstam HA, Epstein S, McKinney CR (1951) Measurement of paleotemperatures and temperatures of the upper cretaceous of England, Denmark, and the southeastern United States. Bull Geol Soc Am 62:399–416
106. Urey HC, Teal GK (1935) The hydrogen isotope of mass 2. Rev Mod Phys 7:34–94
107. Van den Broek A (1913) Intra-atomic charge. Nature 92:372–373
108. Van den Broek A (1913) Intra-atomic charge and the structure of the atom. Nature 92:476–478
109. Van Hook WA (1966) Vapor pressures of the deuterated ethanes. J Chem Phys 44:234–251
110. Van Hook WA (1970) Kinetic isotope effects: introduction and discussion of the theory. In: Collins CJ, Bowman NS (eds) Isotope effects in chemical reactions. Van Nostrand Rheinhold, New York. Chapter 1, pp 1–89
111. Van Hook WA (2001) Phase diagrams and thermodynamics of demixing of polystyrene solvent solutions in (T,P,x) space. In: Dadmun MD, Van Hook WA, Noid DW, Melnichenko YB, Sumpter BG (eds) Computational studies, nanotechnology, and solution thermodynamics of polymer systems. Kluwer-Academic Press, New York. Chapter 1, pp 1–13
112. Van Hook WA (2004) Isotope separation. In: Vertes A, Nagy S, Klencsar Z (eds) Handbook of nuclear chemistry. Kluwer Academic Pub, Dordrecht. Vol. 5, pp 177–212
113. Van Hook WA (2006) Condensed matter isotope effects. In: Kohen A, Limbach HH (eds) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 4, pp 119–152
114. Van Hook WA, Rebelo LPN, Wolfsberg M (2001) An interpretation of the vapor phase second virial coefficient. Correlation of virial coefficient and vapor pressure isotope effects. J Phys Chem A 105:9284–9297
115. Van Hook WA, Rebelo LPN, Wolfsberg M (2007) Isotope effects on VLE properties of fluids and corresponding states: critical point shifts on isotopic substitution. Fluid Phase Equilib 257:35–52
116. Van Hook WA, Wolfsberg M (1994) Comments on H/D isotope effects on polarizabilities of small molecules. Correlation with virial coefficient, molar volume, and electronic second moment isotope effects. Z Naturforschung 49A:563–577
117. Villano SM, Kato S, Bierbaum VM (2006) Deuterium kinetic isotope effects in gas-phase SN2 and E2 reactions: Comparison of experiment and theory. J Am Chem Soc 128:736–737
118. Visak ZP, Rebelo LPN, Szydlowski J (2003) The “hidden” phase diagram of water + 3-methylpyridine at large absolute negative pressures. J Phys Chem B 107:9837–9846
119. Waldmann L (1943) The theory of isotope separation by exchange reactions. Naturwissenschaften 31:205–206
120. Warshel A, Olsson MHM, Villa-Freixa J (2006) Computer simulation of isotope effects in enzyme catalysis. In: Kohen A, Limbach HH (eds) Isotope effects in chemistry and biology. Taylor and Francis, Boca Raton. Chapter 23, pp 621–644
121. Wieczorek S, Urbanczyk A, Van Hook WA (1996) Application of interferometric continuous dilution refractometry to some solutions, including isotopomer solutions: isotope effects on polarizability in liquids. J Chem Thermodyn 28:1009–1018
122. Wigner E (1932) Crossing of potential thresholds in chemical reactions. Z Phys Chem B 19:203–216
123. Wilson EB, Decius JC, Cross PC (1955) Molecular vibrations. The theory of infrared and Raman vibrational spectra. McGraw Hill, New York
124. Wolff H, Hoepfner A (1965) Wasserstoffbruckenassoziation und dampfdruck-isotopieeffekt von N-deuteriertem methyl- und athylamin. Ber Bunsgeschell Phys Chem 69:710–716
125. Wolfsberg M (1969) Correction for the effect of anharmonicity on isotope exchange equilibria. Adv Chem Ser 89:185–191
126. Wolfsberg M, Van Hook WA, Paneth P, Rebelo LPN (2010) Isotope effects in the chemical, geological, and bio sciences. Springer, Dordrecht
127. Zarzycki R (ed) (2002) Stable isotopes – some new fields of application. Polish Academy of Sciences, Łódź

Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-article-BUJ8-0006-0039