recent publications

• academic article

  • Konnick, M. M., Hashiguchi, B. G., Devarajan, D., Boaz, N. C., Gunnoe, T. B., Groves, J. T., Gunsalus, N., Ess, D. H., Periana, R. A. Selective CH functionalization of methane, ethane, and propane by a perfluoroarene iodine(III) complex Angewandte Chemie-International Edition  2014 53:10490-10494  DOI:10.1002/anie.201406185  PMID:25131994
  • Konnick, M. M., Bischof, S. M., Yousufuddin, M., Hashiguchi, B. G., Ess, D. H., Periana, R. A. A mechanistic change results in 100 times faster CH functionalization for ethane versus methane by a homogeneous Pt catalyst Journal of the American Chemical Society  2014 136:10085-10094  DOI:10.1021/ja504368r  PMID:24925375
  • Hashiguchi, B. G., Konnick, M. M., Bischof, S. M., Gustafson, S. J., Devarajan, D., Gunsalus, N., Ess, D. H., Periana, R. A. Main-group compounds selectively oxidize mixtures of methane, ethane, and propane to alcohol esters Science  2014 343:1232-1237  DOI:10.1126/science.1249357  PMID:24626925
  • Konnick, M. M., Bischof, S. M., Ess, D. H., Periana, R. A., Hashiguchi, B. G. Base accelerated generation of N-2 and NH3 from an osmium nitride Journal of Molecular Catalysis a-Chemical  2014 382:1-7  DOI:10.1016/j.molcata.2013.10.019
  • Kister, J., Ess, D. H., Roush, W. R. Enantio- and diastereoselective synthesis of syn-β-hydroxy-α-vinyl carboxylic esters via reductive aldol reactions of ethyl allenecarboxylate with 10-TMS-9-Borabicyclo[3.3.2]decane and DFT analysis of the hydroboration pathway Organic Letters  2013 15:5436-5439  DOI:10.1021/ol4025277  PMID:24138187  PMCID:PMC3849616
  • Pardue, D. B., Gustafson, S. J., Periana, R. A., Ess, D. H., Cundari, T. R. Computational study of carbon-hydrogen bond deprotonation by alkali metal superbases Computational and Theoretical Chemistry  2013 1019:85-93  DOI:10.1016/j.comptc.2013.06.041
  • Stewart, P. S., Chen, M., Roush, W. R., Ess, D. H. Thermodynamic control of 1,3-boratropic shifts of α- and γ-stannyl-substituted allylboranes: hyperconjugation outweighs steric effects Organic Letters  2011 13:1478-1481  DOI:10.1021/ol2001599  PMID:21323387  PMCID:PMC3462665
  • Bhalla, G., Bischof, S. M., Ganesh, S. K., Liu, X. Y., Jones, C. J., Borzenko, A., Tenn, W. J., Ess, D. H., Hashiguchi, B. G., Lokare, K. S., Leung, C. H., Oxgaard, J., et al. Mechanism of efficient anti-Markovnikov olefin hydroarylation catalyzed by homogeneous Ir(III) complexes Green Chemistry  2011 13:69-81  DOI:10.1039/c0gc00330a
  • Ess, D. H., Gunnoe, T. B., Cundari, T. R., Goddard, W. A., Periana, R. A. Ligand lone-pair influence on hydrocarbon C-H activation a computational perspective Organometallics  2010 29:6801-6815  DOI:10.1021/om100974q
  • Ess, D. H., Goddard, W. A., Periana, R. A. Electrophilic, ambiphilic, and nucleophilic C-H bond activation: Understanding the electronic continuum of C-H bond activation through transition-state and reaction pathway interaction energy decompositions Organometallics  2010 29:6459-6472  DOI:10.1021/om100879y
  • Chen, M., Ess, D. H., Roush, W. R. Enantioselective synthesis of (E)-delta-stannyl homoallylic alcohols via aldehyde allylboration using alpha-stannylallylboranes generated by allene hydroboration followed by a highly diastereoselective 1,3-boratropic shift Journal of the American Chemical Society  2010 132:7881-7883  DOI:10.1021/ja103041u  PMID:20496899  PMCID:PMC2890212
  • Bischof, S. M., Ess, D. H., Meier, S. K., Oxgaard, J., Nielsen, R. J., Bhalla, G., Goddard, W. A., Periana, R. A. Benzene C-H bond activation in carboxylic acids catalyzed by o-donor iridium(III) complexes: An experimental and density functional study Organometallics  2010 29:742-756  DOI:10.1021/om900036j
  • Ess, D. H., Kister, J., Chen, M., Roush, W. R. Origin of thermodynamic versus kinetic control of allene hydroboration with 9-borabicyclo[3.3.1]nonane and 10(R)-trimethylsilyl-9-borabicyclo[3.3.2]decane Organic Letters  2009 11:5538-5541  DOI:10.1021/ol902364d  PMID:19899749  PMCID:PMC2803353
  • Ess, D. H., Kister, J., Chen, M., Roush, W. R. Quantum-mechanical study of 10-R-9-borabicyclo[3.3.2]decane alkene hydroboration Journal of Organic Chemistry  2009 74:8626-8637  DOI:10.1021/jo901737d  PMID:19824624  PMCID:PMC2803351
  • Meier, S. K., Young, K. J. H., Ess, D. H., Tenn, W. J., Oxgaard, J., Goddard, W. A., Periana, R. A. Heterolytic benzene C-H activation by a cyclometalated Iridium(III) dihydroxo pyridyl complex: synthesis, hydrogen-deuterium exchange, and density functional study Organometallics  2009 28:5293-5304  DOI:10.1021/om900039s
  • Ess, D. H., Nielsen, R. J., Goddard, W. A., Periana, R. A. Transition-state charge transfer reveals electrophilic, ambiphilic, and nucleophilic carbon-hydrogen bond activation Journal of the American Chemical Society  2009 131:11686-11688  DOI:10.1021/ja902748c  PMID:19653684
  • Young, K. J. H., Yousufuddin, M., Ess, D. H., Periana, R. A. Cyclometalation of 6-phenyl-2,2 '-bipyridine and Iridium: Synthesis, characterization, and reactivity studies Organometallics  2009 28:3395-3406  DOI:10.1021/om900014h
  • Tenn, W. J., Conley, B. L., Hovelmann, C. H., Ahlquist, M., Nielsen, R. J., Ess, D. H., Oxgaard, J., Bischof, S. M., Goddard, W. A., Periana, R. A. Oxy-functionalization of nucleophilic rhenium(I) metal carbon bonds catalyzed by selenium(IV) Journal of the American Chemical Society  2009 131:2466-2468  DOI:10.1021/ja806814c  PMID:19161305
  • Young, K. J. H., Oxgaard, J., Ess, D. H., Meier, S. K., Stewart, T., Goddard, W. A., Periana, R. A. Experimental realization of catalytic CH(4) hydroxylation predicted for an iridium NNC pincer complex, demonstrating thermal, protic, and oxidant stability Chemical Communications  2009 3270-3272  DOI:10.1039/b823303a
  • Ess, D. H., Bischof, S. M., Oxgaard, J., Periana, R. A., Goddard, W. A. Transition State Energy Decomposition Study of Acetate-Assisted and Internal Electrophilic Substitution C−H Bond Activation by (acac-O,O)2Ir(X) Complexes (X = CH3COO, OH) Organometallics  2008 27:6440-6445  DOI:10.1021/om8006568
  • Conley, B. L., Ganesh, S. K., Gonzales, J. M., Ess, D. H., Nielsen, R. J., Ziatdinov, V. R., Oxgaard, J., Goddard, W. A., Periana, R. A. Facile oxy-functionalization of a nucleophilic metal alkyl with a cis-dioxo metal species via a (2+3) transition state Angewandte Chemie-International Edition  2008 47:7849-7852  DOI:10.1002/anie.200802575  PMID:18773396