recent publications
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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