Computational Studies of Carboxylate-Assisted C-H Activation and Functionalization at Group 8-10 Transition Metal Centers

Chemical Reviews
David L DaviesClaire L McMullin

Abstract

Computational studies on carboxylate-assisted C-H activation and functionalization at group 8-10 transition metal centers are reviewed. This Review is organized by metal and will cover work published from late 2009 until mid-2016. A brief overview of computational work prior to 2010 is also provided, and this outlines the understanding of carboxylate-assisted C-H activation in terms of the "ambiphilic metal-ligand assistance" (AMLA) and "concerted metalation deprotonation" (CMD) concepts. Computational studies are then surveyed in terms of the nature of the C-H bond being activated (C(sp(2))-H or C(sp(3))-H), the nature of the process involved (intramolecular with a directing group or intermolecular), and the context (stoichiometric C-H activation or within a variety of catalytic processes). This Review aims to emphasize the connection between computation and experiment and to highlight the contribution of computational chemistry to our understanding of catalytic C-H functionalization based on carboxylate-assisted C-H activation. Some opportunities where the interplay between computation and experiment may contribute further to the areas of catalytic C-H functionalization and applied computational chemistry are identified.

References

Jan 8, 2004·Journal of the American Chemical Society·Jonas OxgaardRoy A Periana
Oct 6, 2005·Journal of the American Chemical Society·David L DaviesStuart A Macgregor
Jan 26, 2006·Journal of the American Chemical Society·Domingo García-CuadradoAntonio M Echavarren
Mar 30, 2006·Journal of the American Chemical Society·David L DaviesManuel Pölleth
Jun 8, 2006·Journal of the American Chemical Society·Vadim R ZiatdinovRoy A Periana
Jul 6, 2006·Journal of the American Chemical Society·Marc LafranceKeith Fagnou
Sep 7, 2006·Journal of Computational Chemistry·Stefan Grimme
Apr 28, 2007·Journal of the American Chemical Society·Domingo García-CuadradoAntonio M Echavarren
Nov 8, 2007·Journal of the American Chemical Society·Marc LafranceKeith Fagnou
Feb 28, 2008·Journal of the American Chemical Society·Louis-Charles CampeauKeith Fagnou
Oct 22, 2008·Journal of the American Chemical Society·Manon ChaumontetOlivier Baudoin
Nov 8, 2008·Physical Chemistry Chemical Physics : PCCP·Jeng-Da Chai, Martin Head-Gordon
Mar 14, 2009·Journal of the American Chemical Society·L Jonas L HällerMichael K Whittlesey
Apr 21, 2009·Chemical Communications : Chem Comm·Mårten AhlquistWilliam A Goddard
Jul 2, 2009·Chemistry : a European Journal·Julio LloretMercedes Sanaú
Jul 23, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Youcef BoutadlaAmalia I Poblador-Bahamonde
Jul 23, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Youcef BoutadlaAmalia I Poblador-Bahamonde
Aug 6, 2009·Journal of the American Chemical Society·Daniel H EssRoy A Periana
Sep 10, 2009·The Journal of Physical Chemistry. a·Yury MinenkovVidar R Jensen
Oct 1, 2009·Journal of the American Chemical Society·Shuichi YanagisawaKenichiro Itami
Oct 1, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Gabriel AullónXavier Solans
Jan 14, 2010·Chemical Reviews·David BalcellsOdile Eisenstein
Jan 28, 2010·Journal of the American Chemical Society·Peihua XiJingsong You
May 8, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Atsushi IshikawaShigeyoshi Sakaki
May 22, 2010·Organic & Biomolecular Chemistry·Willem-Jan van Zeist, F Matthias Bickelhaupt
Aug 5, 2010·Journal of the American Chemical Society·Sophie RousseauxOlivier Baudoin
Aug 27, 2010·Chemistry : a European Journal·Tetsuya Satoh, Masahiro Miura
Oct 12, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·David L DaviesAmalia I Poblador-Bahamonde
Oct 12, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Christos E KefalidisEric Clot
Oct 12, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Julie GuihauméRobin N Perutz
Oct 12, 2010·Angewandte Chemie·Kirika UedaKenichiro Itami
Oct 13, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·David G JohnsonChristine E Welby
Oct 22, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Claire L McMullinNatalie Fey
Nov 12, 2010·Accounts of Chemical Research·Sebastian Kozuch, Sason Shaik
Dec 2, 2010·The Journal of Organic Chemistry·David LapointeKeith Fagnou
Mar 4, 2011·Journal of Computational Chemistry·Stefan GrimmeLars Goerigk

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Citations

Jul 13, 2017·Chemical Reviews·Robert H Crabtree, Aiwen Lei
Mar 1, 2018·Chemistry, an Asian Journal·Gaku AkimotoMasanobu Uchiyama
Feb 7, 2018·Chemistry : a European Journal·Fernando FumagalliLutz Ackermann
Mar 17, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Jian-Biao LiuDe-Zhan Chen
Mar 7, 2018·Angewandte Chemie·Nicolas SauermannLutz Ackermann
Apr 17, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Aisling M PrendergastGerard P McGlacken
Apr 18, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Lu-Lu ZhangDe-Cai Fang
Apr 1, 2018·Angewandte Chemie·Youai QiuLutz Ackermann
Nov 16, 2017·Dalton Transactions : an International Journal of Inorganic Chemistry·Jiří VáňaJana Roithová
Nov 25, 2017·Dalton Transactions : an International Journal of Inorganic Chemistry·Ismael MarcosJosé M Vila
Jun 20, 2018·Chemistry : a European Journal·Alen BjelopetrovićManda Ćurić
Jul 24, 2018·Chemical Society Reviews·Carlo SambiagioMichael Schnürch
Aug 14, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Rena SimayiGregory A Solan
Jul 24, 2018·Angewandte Chemie·Yuanyuan HuCongyang Wang
Oct 16, 2018·Organic & Biomolecular Chemistry·Takahide FukuyamaIlhyong Ryu
Sep 27, 2018·Chemistry : a European Journal·Yu-Feng LiangLutz Ackermann
Oct 31, 2018·Chemical Communications : Chem Comm·Gleiston G DiasLutz Ackermann
Nov 1, 2018·Chemistry : a European Journal·Shou-Kun ZhangLutz Ackermann
May 11, 2019·Angewandte Chemie·Parthasarathy GandeepanLutz Ackermann
May 23, 2019·Chemistry : a European Journal·Rajagopal Santhoshkumar, Chien-Hong Cheng
Jul 16, 2019·Chemistry : a European Journal·Francesco FerlinLutz Ackermann
Mar 22, 2019·ChemSusChem·Samaresh Chandra SauLutz Ackermann
Feb 28, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Nicolas VogtAxel Klein
Jul 30, 2019·Angewandte Chemie·Pravas DoluiDebabrata Maiti
May 5, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Samuel E NealeStuart A Macgregor
May 28, 2020·Chemical Society Reviews·Jiang LouZhengkun Yu

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