86
3 Theoretical Study of Rh-Catalyzed …
References
1. Giri R, Shi BF, Engle KM, Maugel N, Yu JQ (2009) Transition metal-catalyzed C–H activation
reactions: diastereoselectivity and enantioselectivity. Chem Soc Rev 38:3242–3272
2. Lyons TW, Sanford MS (2010) Palladium-catalyzed ligand-directed C–H functionalization
reactions. Chem Rev 110:1147–1169
3. Ackermann L (2011) Carboxylate-assisted transition-metal-catalyzed C–H bond functionalizations: mechanism and scope. Chem Rev 111:1315–1345
4. Bergman RG (2007) Organometallic chemistry: C–H activation. Nature 446:391–393
5. Godula K, Sames D (2006) C–H bond functionalization in complex organic synthesis. Science
312:67–72
6. Gunay A, Theopold KH (2010) C–H bond activations by metal oxo compounds. Chem Rev
110:1060–1081
7. Kakiuchi F, Kochi T (2008) Transition-Metal-Catalyzed Carbon–Carbon bond formation via
Carbon–Hydrogen bond cleavage. Synthesis 2008:3013–3039
8. Dateer RB, Chang S (2015) Selective cyclization of arylnitrones to indolines under external
oxidant-free conditions: dual role of Rh(III) catalyst in the C–H activation and oxygen atom
transfer. J Am Chem Soc 137:4908–4911
9. Lewis JC, Bergman RG, Ellman JA (2008) Direct functionalization of nitrogen heterocycles
via Rh-catalyzed C–H bond activation. Acc Chem Res 41:1013–1025
10. Lin Y, Zhu L, Lan Y, Rao Y (2015) Development of a Rhodium(II)-Catalyzed chemoselective
C(sp(3))–H Oxygenation. Chem Eur J 21:14937–14942
11. Qin X, Li X, Huang Q, Liu H, Wu D, Guo Q, Lan J, Wang R, You J (2015) Rhodium(III)catalyzed ortho C–H heteroarylation of (hetero)aromatic carboxylic acids: a rapid and concise
access to pi-conjugated poly-heterocycles. Angew Chem Int Ed 54:7167–7170
12. Shin K, Kim H, Chang S (2015) Transition-metal-catalyzed C–N bond forming reactions using
organic azides as the nitrogen source: a journey for the mild and versatile C–H amination.
Acc Chem Res 48:1040–1052
13. Song G, Li X (2015) Substrate activation strategies in rhodium(III)-catalyzed selective
functionalization of arenes. Acc Chem Res 48:1007–1020
14. Tan KL, Bergman RG, Ellman JA (2002) Intermolecular coupling of isomerizable alkenes to
heterocycles via rhodium-catalyzed C–H bond activation. J Am Chem Soc 124:13964–13965
15. Yu S, Li Y, Kong L, Zhou X, Tang G, Lan Y, Li X (2016) Mild acylation of C(sp3)–H and
C(sp 2 )–H bonds under redox-neutral Rh(III) catalysis. ACS Catal 6:7744–7748
16. Yu S, Tang G, Li Y, Zhou X, Lan Y, Li X (2016) Anthranil: an aminating reagent leading
to bifunctionality for both C(sp(3))-H and C(sp(2))-H under Rhodium(III) catalysis. Angew
Chem Int Ed 55:8696–8700
17. Colby DA, Bergman RG, Ellman JA (2010) Rhodium-catalyzed C–C bond formation via
heteroatom-directed C–H bond activation. Chem Rev 110:624–655
18. Gridnev ID, Imamoto T (2004) On the mechanism of stereoselection in Rh-catalyzed asymmetric hydrogenation: a general approach for predicting the sense of enantioselectivity. Acc
Chem Res 37:633–644
19. Davies DL, Macgregor SA, McMullin CL (2017) Computational studies of carboxylateassisted C–H activation and functionalization at group 8–10 transition metal centers. Chem
Rev 117:8649–8709
20. Sperger T, Sanhueza IA, Kalvet I, Schoenebeck F (2015) Computational studies of synthetically relevant homogeneous organometallic catalysis involving Ni, Pd, Ir, and Rh: an overview
of commonly employed DFT methods and mechanistic insights. Chem Rev 115:9532–9586
21. Ackermann L, Rn Vicente, Kapdi AR (2009) Transition-metal-catalyzed direct arylation of
(hetero)arenes by C–H bond cleavage. Angew Chem Int Ed 48:9792–9826
22. Bedford RB, Coles SJ, Hursthouse MB, Limmert ME (2003) The catalytic intermolecular
orthoarylation of phenols**. Angew Chem Int Ed 42:112–114
3 Theoretical Study of Rh-Catalyzed …
References
1. Giri R, Shi BF, Engle KM, Maugel N, Yu JQ (2009) Transition metal-catalyzed C–H activation
reactions: diastereoselectivity and enantioselectivity. Chem Soc Rev 38:3242–3272
2. Lyons TW, Sanford MS (2010) Palladium-catalyzed ligand-directed C–H functionalization
reactions. Chem Rev 110:1147–1169
3. Ackermann L (2011) Carboxylate-assisted transition-metal-catalyzed C–H bond functionalizations: mechanism and scope. Chem Rev 111:1315–1345
4. Bergman RG (2007) Organometallic chemistry: C–H activation. Nature 446:391–393
5. Godula K, Sames D (2006) C–H bond functionalization in complex organic synthesis. Science
312:67–72
6. Gunay A, Theopold KH (2010) C–H bond activations by metal oxo compounds. Chem Rev
110:1060–1081
7. Kakiuchi F, Kochi T (2008) Transition-Metal-Catalyzed Carbon–Carbon bond formation via
Carbon–Hydrogen bond cleavage. Synthesis 2008:3013–3039
8. Dateer RB, Chang S (2015) Selective cyclization of arylnitrones to indolines under external
oxidant-free conditions: dual role of Rh(III) catalyst in the C–H activation and oxygen atom
transfer. J Am Chem Soc 137:4908–4911
9. Lewis JC, Bergman RG, Ellman JA (2008) Direct functionalization of nitrogen heterocycles
via Rh-catalyzed C–H bond activation. Acc Chem Res 41:1013–1025
10. Lin Y, Zhu L, Lan Y, Rao Y (2015) Development of a Rhodium(II)-Catalyzed chemoselective
C(sp(3))–H Oxygenation. Chem Eur J 21:14937–14942
11. Qin X, Li X, Huang Q, Liu H, Wu D, Guo Q, Lan J, Wang R, You J (2015) Rhodium(III)catalyzed ortho C–H heteroarylation of (hetero)aromatic carboxylic acids: a rapid and concise
access to pi-conjugated poly-heterocycles. Angew Chem Int Ed 54:7167–7170
12. Shin K, Kim H, Chang S (2015) Transition-metal-catalyzed C–N bond forming reactions using
organic azides as the nitrogen source: a journey for the mild and versatile C–H amination.
Acc Chem Res 48:1040–1052
13. Song G, Li X (2015) Substrate activation strategies in rhodium(III)-catalyzed selective
functionalization of arenes. Acc Chem Res 48:1007–1020
14. Tan KL, Bergman RG, Ellman JA (2002) Intermolecular coupling of isomerizable alkenes to
heterocycles via rhodium-catalyzed C–H bond activation. J Am Chem Soc 124:13964–13965
15. Yu S, Li Y, Kong L, Zhou X, Tang G, Lan Y, Li X (2016) Mild acylation of C(sp3)–H and
C(sp 2 )–H bonds under redox-neutral Rh(III) catalysis. ACS Catal 6:7744–7748
16. Yu S, Tang G, Li Y, Zhou X, Lan Y, Li X (2016) Anthranil: an aminating reagent leading
to bifunctionality for both C(sp(3))-H and C(sp(2))-H under Rhodium(III) catalysis. Angew
Chem Int Ed 55:8696–8700
17. Colby DA, Bergman RG, Ellman JA (2010) Rhodium-catalyzed C–C bond formation via
heteroatom-directed C–H bond activation. Chem Rev 110:624–655
18. Gridnev ID, Imamoto T (2004) On the mechanism of stereoselection in Rh-catalyzed asymmetric hydrogenation: a general approach for predicting the sense of enantioselectivity. Acc
Chem Res 37:633–644
19. Davies DL, Macgregor SA, McMullin CL (2017) Computational studies of carboxylateassisted C–H activation and functionalization at group 8–10 transition metal centers. Chem
Rev 117:8649–8709
20. Sperger T, Sanhueza IA, Kalvet I, Schoenebeck F (2015) Computational studies of synthetically relevant homogeneous organometallic catalysis involving Ni, Pd, Ir, and Rh: an overview
of commonly employed DFT methods and mechanistic insights. Chem Rev 115:9532–9586
21. Ackermann L, Rn Vicente, Kapdi AR (2009) Transition-metal-catalyzed direct arylation of
(hetero)arenes by C–H bond cleavage. Angew Chem Int Ed 48:9792–9826
22. Bedford RB, Coles SJ, Hursthouse MB, Limmert ME (2003) The catalytic intermolecular
orthoarylation of phenols**. Angew Chem Int Ed 42:112–114