Bess Vlaisavljevich

Bess Vlaisavljevich

Assistant Professor

CHEMISTRY

Churchill-Haines Labs 302

Phone: (605) 677-5487

Email: Bess.Vlaisavljevich@usd.edu

Website: http://quantumcoyote.github.io/vlaisavljevich/

Bio:

Dr. Vlaisavljeich recieved her B.A. from the University of Minnesota - Morris in 2007. She continued her studies at the University of Minnesota - Twin Cities where she obtained her M.S. in Chemistry in 2010 and her Ph.D. in Chemistry in 2013. Before joining the Department of Chemistry in 2017, she performed postdoctoral research at the University of California Berkeley (2013 to 2015) and at Northwestern University (2015 to 2017).


Teaching Interests:

Physical Chemistry, Computational Chemistry, General Chemistry


Research Interests:

We are interested in studying systems that contain transition metals, lanthanides, or actinides including cases with multiple metal centers, non-innocent ligands, and materials with defect sites that have the potential to increase the complexity of the electronic structure. Through the combined use of quantum chemical and classical methods, our goal is to rationalize, predict, and inspire the design of new materials. We are open to collaborations with both experimental or other computational groups.


Education:

  • Ph D, Chemistry, University of Minnesota - Twin Cities, 2013
  • MS, Chemistry, University of Minnesota - Twin Cities, 2010
  • BA, Chemistry, University of Minnesota - Morris, 2007

Grants:

  • Controlling Molecular Structure and Spin with Multiconfigurational Quantum Chemistry, Department of Energy. Grant Role: Principal. (2018 - 2022)

Publications:

Citations listed below are presented in a standardized, modified format for display purposes only. They do not necessarily reflect the preferred style and conventions of the faculty member or discipline.

  • Wooles, Ashley J., Mills, David P., Tuna, Floriana, McInnes, Eric J., Law, Gareth T., Fuller, Adam J., Kremer, Felipe, Ridgway, Mark, Lewis, William, Gagliardi, Laura, Vlaisavljevich, Bess, and Liddle, Stephen T.. Uranium(III)-carbon multiple bonding supported by arene ?-bonding in mixed-valence hexauranium nanometre-scale rings. Vol. 9, Iss. 1. Nature Communications, 2018. (DOI: 10.1038/s41467-018-04560-7)
  • Asgari, Mehrdad, Jawahery, Sudi, Bloch, Eric D., Hudson, Matthew R., Flacau, Roxana, Vlaisavljevich, Bess, Long, Jeffrey R., Brown, Craig M., and Queen, Wendy L.. An experimental and computational study of CO2 adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites, -. Chem. Sci., 2018. (DOI: 10.1039/C8SC00971F)
  • Blake, Anastasia V., Fetrow, Taylor V., Theiler, Zachary J., Vlaisavljevich, Bess, and Daly, Scott R.. Homoleptic uranium and lanthanide phosphinodiboranates, 5602-5605. Vol. 54, Iss. 44. CHEMICAL COMMUNICATIONS, 2018. (DOI: 10.1039/c8cc02862a)
  • Lee, Kyounghoon, Kirkvold, Clara, Vlaisavljevich, Bess, and Daly, Scott R.. Ligand-Centered Borenium Reactivity in Triaminoborane-Bridged Diphosphine Complexes. Vol. ASAP. Inorganic Chemistry, 2018. (DOI: 10.1021/acs.inorgchem.8b01601)
  • Weichman, Marissa L., Vlaisavljevich, Bess, DeVine, Jessalyn A., Shuman, Nicholas S., Ard, Shaun G., Shiozaki, Toru, Neumark, Daniel M., and Viggiano, Albert A.. Electronic structure of SmO and SmO- via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations, 234311. Vol. 147, Iss. 23. J. Chem. Phys., 2017. (DOI: 10.1063/1.5008423)
  • Fortier, Skye, Aguilar-Calderón, J. R., Vlaisavljevich, Bess, Metta-Magaña, Alejandro J., Goos, Alan G., and Botez, Cristian E.. An N-Tethered Uranium(III) Arene Complex and the Synthesis of an Unsupported U-Fe Bond, 4591-4599. Vol. 36, Iss. 23. Organomet., 2017. (DOI: 10.1021/acs.organomet.7b00429)
  • Coste, Scott C., Vlaisavljevich, Bess, and Freedman, Danna E.. Magnetic Anisotropy from Main-Group Elements: Halides versus Group 14 Elements, 8195-8202. Vol. 56, Iss. 14. Inorg. Chem., 2017. (DOI: 10.1021/acs.inorgchem.7b00923)
  • Anderson, Samantha L., Gladysiak, Andrzej, Boyd, Peter G., Ireland, Christopher P., Mieville, Pascal, Tiana, Davide, Vlaisavljevich, Bess, Schouwink, Pascal, van Beek, Wouter, Gagnon, Kevin J., Smit, Berend, and Stylianou, Kyriakos C.. Formation pathways of metal-organic frameworks proceeding through partial dissolution of the metastable phase, 3407-3413. Vol. 19, Iss. 25. Cryst. Eng. Comm., 2017. (DOI: 10.1039/c7ce00589j)
  • Vlaisavljevich, Bess, Huck, Johanna, Hulvey, Zeric, Lee, Kyuho, Mason, Jarad A., Neaton, Jeffrey B., Long, Jeffrey R., Brown, Craig M., Alfe, Dario, Michaelides, Angelos, and Smit, Berend. Performance of van der Waals Corrected Functionals for Guest Adsorption in the M-2(dobdc) Metal-Organic Frameworks, 4139-4151. Vol. 121, Iss. 21. J. Phys. Chem. A, 2017. (DOI: 10.1021/acs.jpca.7b00076)
  • Jawahery, Sudi, Simon, Cory M., Braun, Efrem, Witman, Matthew, Tiana, Davide, Vlaisavljevich, Bess, and Smit, Berend. Adsorbate-induced lattice deformation in IRMOF-74 series. Vol. 8. Nat. Commun., 2017. (DOI: 10.1038/ncomms13945)
  • Janda, Amber, Vlaisavljevich, Bess, Smit, Berend, Lin, Li-Chiang, and Bell, Alexis T.. Effects of Pore and Cage Topology on the Thermodynamics of n-Alkane Adsorption at Bronsted Protons in Zeolites at High Temperature, 1618-1638. Vol. 121, Iss. 3. J. Phys. Chem. C, 2016. (DOI: 10.1021/acs.jpcc.6b09703)
  • Janda, Amber, Vlaisavljevich, Bess, Lin, Li-Chiang, Smit, Berend, and Bell, Alexis T.. Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane, 4739-4756. Vol. 138, Iss. 14. J. Am. Chem. Soc., 2016. (DOI: 10.1021/jacs.5b11355)
  • Vlaisavljevich, Bess, and Shiozaki, Toru. Nuclear Energy Gradients for Internally Contracted Complete Active Space Second-Order Perturbation Theory: Multistate Extensions, 3781-3787. Vol. 12, Iss. 8. J. Chem. Theory Comput. , 2016. (DOI: 10.1021/acs.jctc.6b00572)
  • Mercado, Rocio, Vlaisavljevich, Bess, Lin, Li-Chiang, Lee, Kyuho, Lee, Yongjin, Mason, Jarad A., Xiao, Dianne J., Gonzalez, Miguel I., Kapelewski, Matthew T., Neaton, Jeffrey B., and Smit, Berend. Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks, 12590-12604. Vol. 120, Iss. 23. J. Phys. Chem. C, 2016. (DOI: 10.1021/acs.jpcc.6b03393)
  • Vlaisavljevich, Bess, Andrews, Lester, Wang, Xuefeng, Gong, Yu, Kushto, Gary P., and Bursten, Bruce E.. Detection and Electronic Structure of Naked Actinide Complexes: Rhombic-Ring (AnN)2 Molecules Stabilized by Delocalized ?-Bonding, 893-905. Vol. 138, Iss. 3. J. Am. Chem. Soc., 2016. (DOI: 10.1021/jacs.5b10458)
  • Miro, Pere, Vlaisavljevich, Bess, Gil, Adria, Burns, Peter C., Nyman, May, and Bo, Carles. Self-Assembly of Uranyl-Peroxide Nanocapsules in Basic Peroxidic Environments, 8571-8578. Vol. 22, Iss. 25. Chem. Eur. J, 2016. (DOI: 10.1002/chem.201600390)
  • Fataftah, Majed S., Coste, Scott C., Vlaisavljevich, Bess, Zadrozny, Joseph M., and Freedman, Danna E.. Transformation of the coordination complex [Co(C3S5)(2)](2-) from a molecular magnet to a potential qubit, 6160-6166. Vol. 7, Iss. 9. Chem. Sci., 2016. (DOI: 10.1039/c6sc02170k)
  • McDonald, Thomas M., Mason, Jarad A., Kong, Xueqian, Bloch, Eric D., Gygi, David, Dani, Alessandro, Crocellà, Valentina, Giordanino, Filippo, Odoh, Samuel O., Drisdell, Walter S., Vlaisavljevich, Bess, Dzubak, Allison L., Poloni, Roberta, Schnell, Sondre K., Planas, Nora, Lee, Kyuho, Pascal, Tod, Wan, Liwen F., Prendergast, David, Neaton, Jeffrey B., Smit, Berend, Kortright, Jeffrey B., Gagliardi, Laura, Bordiga, Silvia, Reimer, Jeffrey A., and Long, Jeffrey R.. Cooperative insertion of CO2 in diamine-appended metal-organic frameworks, 303-308. Vol. 519, Iss. 7543. Nature, 2015. (DOI: 10.1038/nature14327)
  • Janda, Amber, Vlaisavljevich, Bess, Lin, Li-Chiang, Sharada, Shaama M., Smit, Berend, Head-Gordon, Martin, and Bell, Alexis T.. Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Bronsted Acid Sites in Zeolites, 10427-10438. Vol. 119, Iss. 19. J. Phys. Chem. C, 2015. (DOI: 10.1021/acs.jpcc.5b01715)
  • Qiu, Jie, Vlaisavljevich, Bess, Jouffret, Laurent, Nguyen, Kevin, Szymanowski, Jennifer E. S., Gagliardi, Laura, and Burns, Peter C.. Cation Templating and Electronic Structure Effects in Uranyl Cage Clusters Probed by the Isolation of Peroxide-Bridged Uranyl Dimers, 4445-4455. Vol. 54, Iss. 9. Inorg. Chem., 2015. (DOI: 10.1021/acs.inorgchem.5b00248)
  • Vlaisavljevich, Bess, Odoh, Samuel O., Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, and Smit, Berend. CO2 induced phase transitions in diamine-appended metal-organic frameworks, 5177-5185. Vol. 6, Iss. 9. Chem. Sci., 2015. (DOI: 10.1039/c5sc01828e)
  • Hulvey, Zeric, Vlaisavljevich, Bess, Mason, Jarad A., Tsivion, Ehud, Dougherty, Timothy P., Bloch, Eric D., Head-Gordon, Martin, Smit, Berend, Long, Jeffrey R., and Brown, Craig M.. Critical Factors Driving the High Volumetric Uptake of Methane in Cu-3(btc)(2), 10816-10825. Vol. 137, Iss. 33. J. Am. Chem. Soc., 2015. (DOI: 10.1021/jacs.5b06657)
  • Drisdell, Walter S., Poloni, Roberta, McDonald, Thomas M., Pascal, Tod A., Wan, Liwen F., Das Pemmaraju, C., Vlaisavljevich, Bess, Odoh, Samuel O., Neaton, Jeffrey B., Long, Jeffrey R., Prendergastd, David, and Kortright, Jeffrey B.. Probing the mechanism of CO2 capture in diamine-appended metal-organic frameworks using measured and simulated X-ray spectroscopy, 21448-21457. Vol. 17, Iss. 33. Phys. Chem. Chem. Phys., 2015. (DOI: 10.1039/c5cp02951a)
  • Tyler, Sarah F., Natoli, Sean N., Vlaisavljevich, Bess, Fanwick, Phillip E., and Ren, Tong. Turning a New Leaf on Metal-TMC Chemistry: Ni-II(TMC) Acetylides, 10058-10064. Vol. 54, Iss. 20. Inorg. Chem., 2015. (DOI: 10.1021/acs.inorgchem.5b01883)
  • Lee, Jason S., Vlaisavljevich, Bess, Britt, David K., Brown, Craig M., Haranczyk, Maciej, Neaton, Jeffrey B., Smit, Berend, Long, Jeffrey R., and Queen, Wendy L.. Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory, 5785-5796. Vol. 27, Iss. 38. Adv. Mater., 2015. (DOI: 10.1002/adma.201500966)
  • Miro, Pere, Vlaisavljevich, Bess, Dzubak, Allison L., Hu, Shuxian, Burns, Peter C., Cramer, Christopher J., Spezia, Riccardo, and Gagliardi, Laura. Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Applications (vol 118, pg 24730, 2014), 15778-15778. Vol. 119, Iss. 27. JOURNAL OF PHYSICAL CHEMISTRY C, 2015. (DOI: 10.1021/acs.jpcc.5b05558)
  • Andrews, Lester, Wang, Xuefeng, Gong, Yu, Kushto, Gary P., Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra and Electronic Structure Calculations for NN Complexes with U, UN, and NUN in Solid Argon, Neon, and Nitrogen, 5289-5303. Vol. 118, Iss. 28. J. Phys. Chem. A, 2014. (DOI: 10.1021/jp501637j)
  • Luo, Liang, Balhorn, Luke, Vlaisavljevich, Bess, Ma, Dongxia, Gagliardi, Laura, and Frisbie, C. D.. Hopping Transport and Rectifying Behavior in Long Donor-Acceptor Molecular Wires, 26485-26497. Vol. 118, Iss. 46. J. Phys. Chem. C, 2014. (DOI: 10.1021/jp507044n)
  • Miro, Pere, Vlaisavljevich, Bess, Dzubak, Allison L., Hu, Shuxian, Burns, Peter C., Cramer, Christopher J., Spezia, Riccardo, and Gagliardi, Laura. Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Applications, 24730-24740. Vol. 118, Iss. 42. J. Phys. Chem. C, 2014. (DOI: 10.1021/jp504147s)
  • Vlaisavljevich, Bess, Diaconescu, Paula L., Lukens, Wayne L., Gagliardi, Laura, and Cummins, Christopher C.. Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes, 1341-1352. Vol. 32, Iss. 5. Organomet., 2013. (DOI: 10.1021/om3010367)
  • Andrews, Lester, Wang, Xuefeng, Gong, Yu, Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra and Electronic Structure Calculations for the NUN(NN)(1-5) and NU(NN)(1-6) Complexes in Solid Argon, 9989-9993. Vol. 52, Iss. 17. Inorg. Chem., 2013. (DOI: 10.1021/ic401857u)
  • Vlaisavljevich, Bess, Miro, Pere, Ma, Dongxia, Sigmon, Ginger E., Burns, Peter C., Cramer, Christopher J., and Gagliardi, Laura. Synthesis and Characterization of the First 2D Neptunyl Structure Stabilized by Side-on CationCation Interactions, 2937-2941. Vol. 19, Iss. 9. Chem. Eur. J, 2013. (DOI: 10.1002/chem.201204149)
  • Vlaisavljevich, Bess, Miro, Pere, Koballa, Drew, Todorova, Tanya K., Daly, Scott R., Girolami, Gregory S., Cramer, Christopher J., and Gagliardi, Laura. Volatilities of Actinide and Lanthanide N,N-Dimethylaminodiboranate Chemical Vapor Deposition Precursors: A DFT Study, 23194-23200. Vol. 116, Iss. 44. J. Phys. Chem. C, 2012. (DOI: 10.1021/jp305691y)
  • Wang, Xuefeng, Andrews, Lester, Vlaisavljevich, Bess, and Gagliardi, Laura. Combined Triple and Double Bonds to Uranium: The N U=N-H Uranimine Nitride Molecule Prepared in Solid Argon, 3826-3831. Vol. 50, Iss. 8. Inorg. Chem., 2011. (DOI: 10.1021/ic2003244)
  • Vlaisavljevich, Bess, Miro, Pere, Cramer, Christopher J., Gagliardi, Laura, Infante, Ivan, and Liddle, Stephen T.. On the Nature of Actinide- and Lanthanide-Metal Bonds in Heterobimetallic Compounds, 8424-8433. Vol. 17, Iss. 30. Chem. Eur. J, 2011. (DOI: 10.1002/chem.201100774)
  • Vlaisavljevich, Bess, Gagliardi, Laura, Wang, Xuefeng, Liang, Binyong, Andrews, Lester, and Infante, Ivan. U and P-4 Reaction Products: A Quantum Chemical and Matrix Isolation Spectroscopic Investigation, 9230-9235. Vol. 49, Iss. 20. Inorg. Chem., 2010. (DOI: 10.1021/ic100407e)
  • Vlaisavljevich, Bess, Gagliardi, Laura, and Burns, Peter C.. Understanding the Structure and Formation of Uranyl Peroxide Nanoclusters by Quantum Chemical Calculations, 14503-14508. Vol. 132, Iss. 41. J. Am. Chem. Soc., 2010. (DOI: 10.1021/ja104964x)
  • Cho, Han-Gook, Andrews, Lester, Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra of Small Insertion and Methylidene Complexes in Reactions of Laser-Ablated Nickel Atoms with Halomethanes, 5623-5632. Vol. 28, Iss. 19. Organomet., 2009. (DOI: 10.1021/om900498m)
  • Cho, Han-Gook, Andrews, Lester, Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra of Small Insertion and Methylidene Complexes in Reactions of Laser-Ablated Palladium Atoms with Halomethanes, 6871-6879. Vol. 28, Iss. 24. Organomet., 2009. (DOI: 10.1021/om900750t)
  • Alia, Joseph D., Vlaisavljevich, Bess, Abbot, Matthew, Warneke, Hallie, and Mastin, Tyson. Prediction of molecular properties including symmetry from quantum-based molecular structural formulas, VIF, 9784-9795. Vol. 112, Iss. 40. J. Phys. Chem. A, 2008. (DOI: 10.1021/jp7120214)

Presentations:

  • Vlaisavljevich, Bess. Electronic Structure of Uranium Arene Interactions. Presented at the 255th ACS National Meeting, New Orleans, LA. (March 22, 2018)
  • Vlaisavljevich, Bess. Electronic Structure of Single Molecule Magnets. Presented at the ACS Great Lakes Regional Meeting, Fargo, ND. (June 26, 2017)