312
J. N. Harvey
References
1. Jencks WP (1976) Enforced general acid-base catalysis of complex reactions and its limitations.
Acc Chem Res 9:425–432. https://doi.org/10.1021/ar50108a001
2. Landis CR, Halpern J (1987) Asymmetric hydrogenation of methyl-(Z)-α-acetamidocinnamate
catalyzed by {1,2-bis(phenyl-o-anisyl)phosphino)ethan}rhodium(I): kinetics, mechanism,
and origin of enantioselection. J Am Chem Soc 109:1746–1754. https://doi.org/10.1021/
ja00240a025
3. Gonzalez JA, Ogba OM, Morehouse GF, Rosson N, Houk KN, Leach AG, Cheong PHY, Burke
MD, Lloyd-Jones GC (2016) MIDA boronates are hydrolysed fast and slow by two different
mechanisms. Nat Chem 8:1067–1075. https://doi.org/10.1038/nchem.2571
4. Thomas AA, Denmark SE (2016) Pre-transmetalation intermediates in the Suzuki-Miyaura
reaction revealed: the missing link. Science 352:329–332. https://doi.org/10.1126/science.
aad6981
5. Thomas AA, Wang H, Zahrt AF, Denmark SE (2017) Structural, kinetic, and computational
characterization of the elusive Arylpalladium(II)boronate complexes in the Suzuki–Miyaura
reaction. J Am Chem Soc 139:3805–3821. https://doi.org/10.1021/jacs.6b13384
6. Noyori R, Richmond JP (2013) Ethical conduct in chemical research and publishing. Adv
Synth Catal 355:3–8. https://doi.org/10.1002/adsc.201201128
7. Harvey J, Brichard MH, Viehe HG (1993) Electrophilic ene-type reactions of phenyl vinyl
sulfoxide with alkenes. J Chem Soc Perkin Trans 1:2275–2280. https://doi.org/10.1039/
P19930002275
8. Harvey JN, Viehe HG (1995) 3-thio-claisen rearrangement of the allyl vinyl sulfonium ion. J
Chem Soc Chem Commun 2345–2346. https://doi.org/10.1039/c39950002345
9. Aggarwal VK, Harvey JN, Richardson J (2002) Unravelling the mechanism of epoxide formation from sulfur ylids and aldehydes. J Am Chem Soc 124:5747–5756. https://doi.org/10.
1021/ja025633n
10. Abdur-Rashid K, Clapham S, Hadzovic A, Harvey JN, Lough AJ, Morris RH (2002) Mechanism of the hydrogenation of ketones catalyzed by trans-dihydrido(diamine)ruthenium(II)
complexes. J Am Chem Soc 124:15104–15118. https://doi.org/10.1021/ja016817p
11. Becke AD (1993) Density-functional thermochemistry. III. The role of exact exchange. J Chem
Phys 98:5648–5652. https://doi.org/10.1063/1.464913
12. Aggarwal VK, Richardson J (2003) The complexity of catalysis: origins of enantio- and
diastereocontrol in sulfur ylide mediated epoxidation reactions. Chem Commun 2644–2651.
https://doi.org/10.1039/b304625g
13. Grimme S, Antony J, Ehrlich S, Krieg H (2010) A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J Chem
Phys 132:154104. https://doi.org/10.1063/1.3382344
14. Riplinger C, Pinski P, Becker U, Valeev EF, Neese F (2016) Sparse maps—a systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair
natural orbital coupled cluster theory. J Chem Phys 144:024109. https://doi.org/10.1063/1.
4939030
15. Truhlar DG (1998) Basis-set extrapolation. Chem Phys Lett 194:45–48. https://doi.org/10.
1016/S0009-2614(98)00866-5
16. Liu Z, Patel C, Harvey JN, Sunoj RB (2017) Mechanism and reactivity in the Morita–Baylis–Hillman reaction: the challenge of accurate computations. Phys Chem Chem Phys
19:30647–30657. https://doi.org/10.1039/c7cp06508f
17. For one example of a modern approach to archving quantum chemistry results, see the ioChemBD project. https://www.iochem-bd.org/
18. Leyssens T, Peeters D, Harvey JN (2008) Origin of enantioselective hydrogenation of ketones
by RuH 2 (diphosphine)(diamine) catalysts: a theoretical study. Organometallics 27:1514–1523.
https://doi.org/10.1021/om700940m
J. N. Harvey
References
1. Jencks WP (1976) Enforced general acid-base catalysis of complex reactions and its limitations.
Acc Chem Res 9:425–432. https://doi.org/10.1021/ar50108a001
2. Landis CR, Halpern J (1987) Asymmetric hydrogenation of methyl-(Z)-α-acetamidocinnamate
catalyzed by {1,2-bis(phenyl-o-anisyl)phosphino)ethan}rhodium(I): kinetics, mechanism,
and origin of enantioselection. J Am Chem Soc 109:1746–1754. https://doi.org/10.1021/
ja00240a025
3. Gonzalez JA, Ogba OM, Morehouse GF, Rosson N, Houk KN, Leach AG, Cheong PHY, Burke
MD, Lloyd-Jones GC (2016) MIDA boronates are hydrolysed fast and slow by two different
mechanisms. Nat Chem 8:1067–1075. https://doi.org/10.1038/nchem.2571
4. Thomas AA, Denmark SE (2016) Pre-transmetalation intermediates in the Suzuki-Miyaura
reaction revealed: the missing link. Science 352:329–332. https://doi.org/10.1126/science.
aad6981
5. Thomas AA, Wang H, Zahrt AF, Denmark SE (2017) Structural, kinetic, and computational
characterization of the elusive Arylpalladium(II)boronate complexes in the Suzuki–Miyaura
reaction. J Am Chem Soc 139:3805–3821. https://doi.org/10.1021/jacs.6b13384
6. Noyori R, Richmond JP (2013) Ethical conduct in chemical research and publishing. Adv
Synth Catal 355:3–8. https://doi.org/10.1002/adsc.201201128
7. Harvey J, Brichard MH, Viehe HG (1993) Electrophilic ene-type reactions of phenyl vinyl
sulfoxide with alkenes. J Chem Soc Perkin Trans 1:2275–2280. https://doi.org/10.1039/
P19930002275
8. Harvey JN, Viehe HG (1995) 3-thio-claisen rearrangement of the allyl vinyl sulfonium ion. J
Chem Soc Chem Commun 2345–2346. https://doi.org/10.1039/c39950002345
9. Aggarwal VK, Harvey JN, Richardson J (2002) Unravelling the mechanism of epoxide formation from sulfur ylids and aldehydes. J Am Chem Soc 124:5747–5756. https://doi.org/10.
1021/ja025633n
10. Abdur-Rashid K, Clapham S, Hadzovic A, Harvey JN, Lough AJ, Morris RH (2002) Mechanism of the hydrogenation of ketones catalyzed by trans-dihydrido(diamine)ruthenium(II)
complexes. J Am Chem Soc 124:15104–15118. https://doi.org/10.1021/ja016817p
11. Becke AD (1993) Density-functional thermochemistry. III. The role of exact exchange. J Chem
Phys 98:5648–5652. https://doi.org/10.1063/1.464913
12. Aggarwal VK, Richardson J (2003) The complexity of catalysis: origins of enantio- and
diastereocontrol in sulfur ylide mediated epoxidation reactions. Chem Commun 2644–2651.
https://doi.org/10.1039/b304625g
13. Grimme S, Antony J, Ehrlich S, Krieg H (2010) A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J Chem
Phys 132:154104. https://doi.org/10.1063/1.3382344
14. Riplinger C, Pinski P, Becker U, Valeev EF, Neese F (2016) Sparse maps—a systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair
natural orbital coupled cluster theory. J Chem Phys 144:024109. https://doi.org/10.1063/1.
4939030
15. Truhlar DG (1998) Basis-set extrapolation. Chem Phys Lett 194:45–48. https://doi.org/10.
1016/S0009-2614(98)00866-5
16. Liu Z, Patel C, Harvey JN, Sunoj RB (2017) Mechanism and reactivity in the Morita–Baylis–Hillman reaction: the challenge of accurate computations. Phys Chem Chem Phys
19:30647–30657. https://doi.org/10.1039/c7cp06508f
17. For one example of a modern approach to archving quantum chemistry results, see the ioChemBD project. https://www.iochem-bd.org/
18. Leyssens T, Peeters D, Harvey JN (2008) Origin of enantioselective hydrogenation of ketones
by RuH 2 (diphosphine)(diamine) catalysts: a theoretical study. Organometallics 27:1514–1523.
https://doi.org/10.1021/om700940m