@misc{lail_pittard_gunnoe_2008, title={Chemistry surrounding Group 7 complexes that possess Poly(pyrazolyl)borate ligands}, volume={56}, journal={Organotransition metal chemistry of poly(pyrazolyl)borates, pt 1}, author={Lail, M. and Pittard, K. A. and Gunnoe, T. B.}, year={2008}, pages={95–153} }
 @article{foley_lail_gunnoe_cundari_boyle_petersen_2007, title={Combined experimental and computational study of TpRu{P(pyr)(3)}(NCMe)Me (pyr = N-pyrrolyl): Inter- and intramolecular activation of C-H bonds and the impact of sterics on catalytic hydroarylation of olefins}, volume={26}, ISSN={["1520-6041"]}, DOI={10.1021/om700666y}, abstractNote={Complexes of the type TpRu{P(pyr)3}(L)R {L = PPh3 or NCMe; R = Cl, OTf (OTf = trifluoromethanesulfonate), Me, or Ph; Tp = hydridotris(pyrazolyl)borate; pyr = N-pyrrolyl} and TpRu{κ2-P,C-P(pyr)2(NC4H3)}NCMe have been synthesized and isolated. TpRu{P(pyr)3}(NCMe)Me initiates intermolecular C−H activation of benzene to form TpRu{P(pyr)3}(NCMe)Ph and, in the absence of benzene, intramolecular C−H activation of a pyrrolyl ring to form the cyclometalated species TpRu{κ2-P,C-P(pyr)2(NC4H3)}NCMe. TpRu{P(pyr)3}(NCMe)Ph catalyzes the hydrophenylation of ethylene in benzene to produce ethylbenzene in low yields. Experimental and computational analyses of the hydrophenylation of ethylene by TpRu{P(pyr)3}(NCMe)Ph suggest that inefficient catalysis is not due to difficulty in the C−H activation of benzene by the active catalyst species, but rather likely arises from the steric bulk of the tris-N-pyrrolyl phosphine ligand, which inhibits coordination of ethylene and thus thwarts C−C bond formation.}, number={23}, journal={ORGANOMETALLICS}, author={Foley, Nicholas A. and Lail, Marty and Gunnoe, T. Brent and Cundari, Thomas R. and Boyle, Paul D. and Petersen, Jeffrey L.}, year={2007}, month={Nov}, pages={5507–5516} }
 @article{foley_lail_lee_gunnoe_cundari_petersen_2007, title={Comparative reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of ancillary ligand L on activation of carbon-hydrogen bonds including catalytic hydroarylation and hydrovinylation/oligomerization of ethylene}, volume={129}, ISSN={["1520-5126"]}, DOI={10.1021/ja068542p}, abstractNote={Complexes of the type TpRu(L)(NCMe)R [L = CO or PMe3; R = Ph or Me; Tp = hydridotris(pyrazolyl)borate] initiate C-H activation of benzene. Kinetic studies, isotopic labeling, and other experimental evidence suggest that the mechanism of benzene C-H activation involves reversible dissociation of acetonitrile, reversible benzene coordination, and rate-determining C-H activation of coordinated benzene. TpRu(PMe3)(NCMe)Ph initiates C-D activation of C6D6 at rates that are approximately 2-3 times more rapid than that for TpRu(CO)(NCMe)Ph (depending on substrate concentration); however, the catalytic hydrophenylation of ethylene using TpRu(PMe3)(NCMe)Ph is substantially less efficient than catalysis with TpRu(CO)(NCMe)Ph. For TpRu(PMe3)(NCMe)Ph, C-H activation of ethylene, to ultimately produce TpRu(PMe3)(eta3-C4H7), is found to kinetically compete with catalytic ethylene hydrophenylation. In THF solutions containing ethylene, TpRu(PMe3)(NCMe)Ph and TpRu(CO)(NCMe)Ph separately convert to TpRu(L)(eta3-C4H7) (L = PMe3 or CO, respectively) via initial Ru-mediated ethylene C-H activation. Heating mesitylene solutions of TpRu(L)(eta3-C4H7) under ethylene pressure results in the catalytic production of butenes (i.e., ethylene hydrovinylation) and hexenes.}, number={21}, journal={JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, author={Foley, Nicholas A. and Lail, Marty and Lee, John P. and Gunnoe, T. Brent and Cundari, Thomas R. and Petersen, Jeffrey L.}, year={2007}, month={May}, pages={6765–6781} }
 @article{feng_lail_foley_gunnoe_barakat_cundari_petersen_2006, title={Hydrogen-deuterium exchange between TpRu( PMe3)(L)X (L) = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: Evidence for metal-mediated processes}, volume={128}, ISSN={["1520-5126"]}, DOI={10.1021/ja0615775}, abstractNote={At elevated temperatures (90-130 degrees C), complexes of the type TpRu(PMe3)2X (X = OH, OPh, Me, Ph, or NHPh; Tp = hydridotris(pyrazolyl)borate) undergo regioselective hydrogen-deuterium (H/D) exchange with deuterated arenes. For X = OH or NHPh, H/D exchange occurs at hydroxide and anilido ligands, respectively. For X = OH, OPh, Me, Ph, or NHPh, isotopic exchange occurs at the Tp 4-positions with only minimal deuterium incorporation at the Tp 3- or 5-positions or PMe3 ligands. For TpRu(PMe3)(NCMe)Ph, the H/D exchange occurs at 60 degrees C at all three Tp positions and the phenyl ring. TpRu(PMe3)2Cl, TpRu(PMe3)2OTf (OTf = trifluoromethanesulfonate), and TpRu(PMe3)2SH do not initiate H/D exchange in C6D6 after extended periods of time at elevated temperatures. Mechanistic studies indicate that the likely pathway for the H/D exchange involves ligand dissociation (PMe3 or NCMe), Ru-mediated activation of an aromatic C-D bond, and deuteration of basic nondative ligand (hydroxide or anilido) or Tp positions via net D+ transfer.}, number={24}, journal={JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, author={Feng, Yuee and Lail, Marty and Foley, Nicholas A. and Gunnoe, T. Brent and Barakat, Khaldoon A. and Cundari, Thomas R. and Petersen, Jeffrey L.}, year={2006}, month={Jun}, pages={7982–7994} }
 @article{goj_lail_pittard_riley_gunnoe_petersen_2006, title={Reactions of TpRu(CO)(NCMe)(Ph) with electron-rich olefins: examples of stoichiometric C-S, C-O and C-H bond cleavage}, number={9}, journal={Chemical Communications (Cambridge, England)}, author={Goj, L. A. and Lail, M. and Pittard, K. A. and Riley, K. C. and Gunnoe, T. B. and Petersen, J. L.}, year={2006}, pages={982–984} }
 @article{lail_gunnoe_barakat_cundari_2005, title={Conversions of ruthenium(III) alkyl complexes to ruthenium(II) through Ru-C-alkyl bond homolysis}, volume={24}, ISSN={["1520-6041"]}, DOI={10.1021/om049145v}, abstractNote={Single-electron oxidation of the Ru(II) complexes TpRu(L)(L‘)(R) (L = CO, L‘ = NCMe, and R = CH3 or CH2CH2Ph; L = L‘ = PMe3 and R = CH3) with AgOTf leads to alkyl elimination reactions that produce...}, number={6}, journal={ORGANOMETALLICS}, author={Lail, M and Gunnoe, TB and Barakat, KA and Cundari, TR}, year={2005}, month={Mar}, pages={1301–1305} }
 @article{feng_lail_barakat_cundari_gunnoe_petersen_2005, title={Evidence for the net addition of arene C-H bonds across a Ru(II)-hydroxide bond}, volume={127}, ISSN={["0002-7863"]}, DOI={10.1021/ja054101e}, abstractNote={TpRu(PMe3)2(OH) (1) reacts with C6D6 to initiate H/D exchange between the hydroxide ligand and the deuterated benzene. In addition, complex 1 catalyzes H/D exchange between H2O and C6D6. Mechanistic and computational studies suggest that a likely reaction pathway for the H/D exchange involves loss of PMe3 to produce {TpRu(PMe3)(OH)}, followed by the net addition of a benzene C-H(D) bond across the Ru-OH bond to form the putative complex TpRu(PMe3)(OH2)(Ph).}, number={41}, journal={JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, author={Feng, Y and Lail, M and Barakat, KA and Cundari, TR and Gunnoe, TB and Petersen, JL}, year={2005}, month={Oct}, pages={14174–14175} }
 @article{lail_bell_conner_cundari_gunnoe_petersen_2004, title={Experimental and computational studies of ruthenium(II)-catalyzed addition of arene C-H bonds to olefins}, volume={23}, ISSN={["1520-6041"]}, DOI={10.1021/om049404g}, abstractNote={This article discusses experimental and computational studies of Ruthenium(II)-Catalyzed addition of arene C-H bonds to olefins.}, number={21}, journal={ORGANOMETALLICS}, author={Lail, M and Bell, CM and Conner, D and Cundari, TR and Gunnoe, TB and Petersen, JL}, year={2004}, month={Oct}, pages={5007–5020} }
 @article{arrowood_lail_gunnoe_boyle_2003, title={Radical polymerization of styrene and methyl methacrylate with Ruthenium(II) complexes}, volume={22}, ISSN={["0276-7333"]}, DOI={10.1021/om020871c}, abstractNote={Methylation of [TpRu(CO)2(THF)][PF6] yields the Ru(II) complex TpRu(CO)2(Me), and reaction of TpRu(CO)2(Me) with Me3NO in refluxing acetonitrile yields TpRu(CO)(CH3)(NCMe) (Tp = hydridotris(pyrazolyl)borate). Reactions of TpRu(CO)(CH3)(NCCH3) with CD3CN indicate that the bound acetonitrile ligand undergoes exchange to yield TpRu(CO)(CH3)(NCCD3), and the rates of the exchange reactions are independent of CD3CN concentration. At elevated temperatures catalytic quantities of TpRu(CO)(CH3)(NCMe) in the presence of styrene result in the production of polystyrene. The dependence of polystyrene molecular weight on benzene/cumene molar ratios indicates a radical polymerization mechanism. Styrene polymerization also occurs in the presence of carbon tetrachloride or methyl dichloroacetate. In addition, the polymerization of methyl methacrylate in the presence of TpRu(CO)(CH3)(NCMe) with carbon tetrachloride or methyl dichloroacetate has been observed at 90 °C.}, number={23}, journal={ORGANOMETALLICS}, author={Arrowood, BN and Lail, M and Gunnoe, TB and Boyle, PD}, year={2003}, month={Nov}, pages={4692–4698} }