The physical basis of the hard/soft acid/base principle
10.1039/b606877d
Crossref journal-article
Royal Society of Chemistry (RSC)
Faraday Discuss. (292)
Bibliography

Ayers, P. W. (2007). The physical basis of the hard/soft acid/base principle. Faraday Discuss., 135, 161–190.

Authors 1
  1. Paul W. Ayers (first)
References 92 Referenced 374
  1. 10.1063/1.436185 / J. Chem. Phys. by Parr (1978)
  2. R. T. Sanderson , Chemical Bonds and Bond Energy, Academic Press, New York, 1976 / Chemical Bonds and Bond Energy by Sanderson (1976)
  3. 10.1126/science.114.2973.670 / Science by Sanderson (1951)
  4. 10.1103/PhysRevLett.49.1691 / Phys. Rev. Lett. by Perdew (1982)
  5. 10.1007/s002149900021 / Theor. Chem. Acc. by Zhang (2000)
  6. 10.1103/PhysRevLett.84.5172 / Phys. Rev. Lett. by Yang (2000)
  7. 10.1021/jp0404596 / J. Phys. Chem. A by Parr (2005)
  8. 10.1021/jp060761+ / J. Phys. Chem. A by Matta (2006)
  9. 10.1063/1.439358 / J. Chem. Phys. by Bartolotti (1980)
  10. 10.1007/BF00308783 / Phys. Chem. Miner. by Yang (1987)
  11. 10.1073/pnas.82.20.6723 / Proc. Natl. Acad. Sci. USA by Yang (1985)
  12. 10.1063/1.447964 / J. Chem. Phys. by Yang (1984)
  13. 10.1021/ja00326a036 / J. Am. Chem. Soc. by Parr (1984)
  14. 10.1063/1.454034 / J. Chem. Phys. by Berkowitz (1988)
  15. 10.1021/ja00250a012 / J. Am. Chem. Soc. by Berkowitz (1987)
  16. 10.1021/ja00310a011 / J. Am. Chem. Soc. by Berkowitz (1985)
  17. 10.1063/1.449846 / J. Chem. Phys. by Ghosh (1985)
  18. 10.1063/1.460491 / J. Chem. Phys. by Fuentealba (1991)
  19. 10.1007/3-540-61131-2_3 / Top. Curr. Chem. by Cohen (1996)
  20. 10.1063/1.470238 / J. Chem. Phys. by Cohen (1995)
  21. 10.1063/1.468026 / J. Chem. Phys. by Cohen (1994)
  22. 10.1103/PhysRevLett.72.3222 / Phys. Rev. Lett. by Cohen (1994)
  23. 10.1515/zna-1988-0109 / Z. Naturforsch., A: Phys. Sci. by Nalewajski (1988)
  24. 10.1515/zna-1987-0506 / Z. Naturforsch., A: Phys. Sci. by Nalewajski (1987)
  25. 10.1021/ja00316a020 / J. Am. Chem. Soc. by Nalewajski (1984)
  26. 10.1021/ja00279a008 / J. Am. Chem. Soc. by Yang (1986)
  27. 10.1063/1.470165 / J. Chem. Phys. by Baekelandt (1995)
  28. 10.1063/1.474657 / J. Chem. Phys. by De Proft (1997)
  29. 10.1021/ja983494x / J. Am. Chem. Soc. by Parr (1999)
  30. 10.1146/annurev.pc.46.100195.003413 / Annu. Rev. Phys. Chem. by Parr (1995)
  31. 10.1021/cr990029p / Chem. Rev. by Geerlings (2003)
  32. 10.1002/(SICI)1096-987X(19990115)20:1<129::AID-JCC13>3.0.CO;2-A / J. Comput. Chem. by Chermette (1999)
  33. 10.1002/qua.20307 / Int. J. Quantum Chem. by Ayers (2005)
  34. 10.1007/s002149900093 / Theor. Chem. Acc. by Ayers (2000)
  35. 10.1021/jp0462207 / J. Phys. Chem. A by Bartolotti (2005)
  36. 10.1021/ja9924039 / J. Am. Chem. Soc. by Ayers (2000)
  37. 10.1063/1.1467338 / J. Chem. Phys. by Ayers (2002)
  38. R. F. W. Bader , Atoms in Molecules A Quantum Theory; Clarendon, Oxford, 1990 (10.1093/oso/9780198551683.001.0001) / Atoms in Molecules A Quantum Theory; Clarendon by Bader (1990)
  39. 10.1073/pnas.97.16.8879 / Proc. Natl. Acad. Sci. USA by Nalewajski (2000)
  40. 10.1063/1.1327268 / J. Chem. Phys. by Ayers (2000)
  41. 10.1103/PhysRev.137.A1441 / Phys. Rev. Sect. A by Mermin (1965)
  42. 10.1063/1.1749394 / J. Chem. Phys. by Mulliken (1934)
  43. 10.1021/ja00378a004 / J. Am. Chem. Soc. by Parr (1982)
  44. 10.1063/1.2196882 / J. Chem. Phys. by Ayers (2006)
  45. 10.1021/cr040109f / Chem. Rev. by Chattaraj (2006)
  46. 10.1039/b500996k / Phys. Chem. Chem. Phys. by Ayers (2005)
  47. 10.1021/ja00364a005 / J. Am. Chem. Soc. by Parr (1983)
  48. 10.1126/science.151.3707.172 / Science by Pearson (1966)
  49. 10.1021/ed045p643 / J. Chem. Educ. by Pearson (1968)
  50. 10.1021/ed045p581 / J. Chem. Educ. by Pearson (1968)
  51. {'key': 'B606877D-(cit51)/*[position()=1]', 'first-page': '103', 'volume': '3', 'author': 'Pearson', 'year': '1967', 'journal-title': 'Chem. Br.'} / Chem. Br. by Pearson (1967)
  52. 10.1021/ja00984a014 / J. Am. Chem. Soc. by Pearson (1967)
  53. 10.1021/ja00905a001 / J. Am. Chem. Soc. by Pearson (1963)
  54. 10.1021/ja00005a073 / J. Am. Chem. Soc. by Chattaraj (1991)
  55. 10.1021/jp971933t / J. Phys. Chem. A by Gazquez (1997)
  56. 10.1021/jp970643+ / J. Phys. Chem. A by Gazquez (1997)
  57. 10.1063/1.1897374 / J. Chem. Phys. by Ayers (2005)
  58. 10.1021/j100068a018 / J. Phys. Chem. by Gazquez (1994)
  59. 10.1021/ja00099a055 / J. Am. Chem. Soc. by Mendez (1994)
  60. 10.1021/jp037674r / Phys. Chem. A by Melin (2004)
  61. {'key': 'B606877D-(cit61)/*[position()=1]', 'author': 'Anderson', 'year': '2006', 'journal-title': 'J. Chem. Theor. Comput.'} / J. Chem. Theor. Comput. by Anderson (2006)
  62. {'key': 'B606877D-(cit62)/*[position()=1]', 'first-page': '5', 'author': 'March', 'year': '1972', 'journal-title': 'J. Phys. B'} / J. Phys. B by March (1972)
  63. 10.1073/pnas.77.11.6285 / Proc. Natl. Acad. Sci. USA by March (1980)
  64. 10.1063/1.443479 / J. Chem. Phys. by Tal (1982)
  65. {'key': 'B606877D-(cit65)/*[position()=1]', 'first-page': '223', 'volume': '34–35', 'author': 'Ayers', 'year': '2002', 'journal-title': 'Acta. Chim. Phys. Debricina'} / Acta. Chim. Phys. Debricina by Ayers (2002)
  66. 10.1103/PhysRev.127.830 / Phys. Rev. by Scherr (1962)
  67. 10.1103/PhysRevA.44.7071 / Phys. Rev. A by Davidson (1991)
  68. 10.1103/PhysRev.81.385 / Phys. Rev. by Slater (1951)
  69. 10.1080/00268970500130183 / Mol. Phys. by Ayers (2005)
  70. 10.1002/(SICI)1097-461X(1997)62:1<47::AID-QUA5>3.0.CO;2-3 / Int. J. Quantum Chem. by Yang (1997)
  71. 10.1021/jp962092d / J. Phys. Chem. by Ghanty (1996)
  72. 10.1021/j100121a015 / J. Phys. Chem. by Ghanty (1993)
  73. J. D. Jackson , Classical Electrodynamics, Wiley, New York, 1975 / Classical Electrodynamics by Jackson (1975)
  74. 10.1021/j100027a011 / J. Phys. Chem. by Hati (1995)
  75. 10.1021/j100092a012 / J. Phys. Chem. by Hati (1994)
  76. 10.1021/jp972733k / J. Phys. Chem. A by Simon-Manso (1998)
  77. 10.1098/rspa.1955.0246 / Proc. R. Soc. London, Ser. A by Dalgarno (1955)
  78. 10.1088/0370-1328/82/2/304 / Proc. Phys. Soc. by Flannery (1963)
  79. 10.1021/ja00168a019 / J. Am. Chem. Soc. by Nagle (1990)
  80. 10.1021/ja002966g / J. Am. Chem. Soc. by Ayers (2001)
  81. 10.1007/BF02708347 / J. Chem. Sci. by Nagy (2005)
  82. After this replacement, the appropriate prefactor is greater than 3/2. It is unclear what the prefactor should be, however
  83. 10.1021/ic50118a065 / Inorg. Chem. by Pearson (1972)
  84. This very lengthy derivation will not be reproduced here. The derivation is straightforward, but it is not very elucidating and, moreover, it is quite possible that the author has made a number of silly mathematical errors
  85. 10.1007/PL00012385 / Theor. Chem. Acc. by Ayers (2001)
  86. 10.1021/ed064p561 / J. Chem. Educ. by Pearson (1987)
  87. 10.1021/ed076p267 / J. Chem. Educ. by Pearson (1999)
  88. 10.1021/ar00029a004 / Acc. Chem. Res. by Pearson (1993)
  89. 10.1021/ja00005a072 / J. Am. Chem. Soc. by Parr (1991)
  90. 10.1063/1.2011395 / J. Chem. Phys. by Chattaraj (2005)
  91. P. K. Chattaraj , 2006, unpublished by Chattaraj (2006)
  92. W. P. Jencks , in Advances in Enzymology and Related Areas of Molecular Biology, ed. A. Meister, Wiley, New York, 1975 / Advances in Enzymology and Related Areas of Molecular Biology by Jencks (1975)
Dates
Type When
Created 18 years, 9 months ago (Nov. 28, 2006, 11:56 a.m.)
Deposited 1 year, 4 months ago (April 17, 2024, 8:15 a.m.)
Indexed 1 week, 1 day ago (Aug. 28, 2025, 8:05 a.m.)
Issued 18 years, 8 months ago (Jan. 1, 2007)
Published 18 years, 8 months ago (Jan. 1, 2007)
Published Online 18 years, 8 months ago (Jan. 1, 2007)
Funders 0

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@article{Ayers_2007, title={The physical basis of the hard/soft acid/base principle}, volume={135}, ISSN={1364-5498}, url={http://dx.doi.org/10.1039/b606877d}, DOI={10.1039/b606877d}, journal={Faraday Discuss.}, publisher={Royal Society of Chemistry (RSC)}, author={Ayers, Paul W.}, year={2007}, pages={161–190} }