Jäger, Wolfgang - University of Alberta

个人简介

MSc Christian-Albrechts-Universität zu Kiel, Germany PhD Christian-Albrechts-Universität zu Kiel, Germany

研究领域

Spectroscopy of Molecular Clusters Our focus is to understand weak intermolecular interaction on a fundamental basis. Utilizing several home-built instruments, we are employing different high-resolution spectroscopic techniques to study molecular clusters generated in a pulsed molecular beam expansion: Helium Nanodroplet Spectroscopy Superfluid helium nanodroplets provide an ultra-cold environment to study novel chemical species. They also afford the opportunity to investigate the phenomenon of superfluidity, a collective bulk property. Our helium droplet instrument allows for measuring microwave and infrared spectra of embedded molecules. We are looking actively for talented and motivated graduate students to do research in this area. High Level ab initio Calculations In parallel to the spectroscopic investigations of molecular clusters, we are using high level ab initio calculations to generate intermolecular interaction potential energy surfaces to gain further insight into the interactions. The lab is equipped with two computer clusters running MOLPRO 2006.1, Gaussian 03, and Gamess. Laser Based Mid-Infrared Trace Gas Sensing In our Laboratory for Laser Spectroscopy and Atmospheric Sensing we are developing field-useable and space-qualified mid- and near-infrared atmospheric trace gas sensors, in a joint effort with Dr. John Tulip (Department of Electrical and Computer Engineering, University of Alberta). Fabrication of MEMS-based External Cavity Laser Together with two companies, Noracada and Boreal Laser, we are developing MEMS (micro electro mechanical systems) based external cavity lasers. Much of the work is done at the NanoFab at the UofA.

近期论文

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Arsh S. Hazrah, Mohamad Al-Jabiri, and Wolfgang Jäger:“Structure and Conformations of 3-Methylcatechol: A Rotational Spectroscopic and Theoretical study.” J. Molec. Spectrosc., 390, 111715 (2022). DOI: 10.1016/j.jms.2022.111715 Mark D. Marshall, Helen O. Leung, Sérgio R. Domingos, Anna Krin, Melanie Schnell, Nathan A. Seifert, Yunjie Xu, and Wolfgang Jäger:“Examining the Gas-Phase Homodimers of 3,3,3-Trifluoro-1,2-Epoxypropane Using Quantum Chemistry and Microwave Spectroscopy.” Phys. Chem. Chem. Phys. 24, 28495-28505 (2022). DOI: 10.1039/D2CP04663F Mohamad Al-Jabiri, Arsh S. Hazrah, and Wolfgang Jäger:“Conformers of Vanillic Acid and Its Monohydrate: A Rotational Spectroscopic and Theoretical Study.” J. Phys. Chem. A 126, 6686-6694 (2022). DOI: 10.1021/acs.jpca.2c05120 Bowei Wu, Nathan A. Seifert, Sönke Oswald, Wolfgang Jäger and Yunjie Xu:“Rotational Spectroscopy of the 2,2,3,3,3-Pentafluoro-1-propanol···Water Complex: Conformations and Large Amplitude Motions.” ChemPhysChem, e202200348 - 1-8 (2022). DOI: 10.1002/cphc.202200348 Junjie Qiang, Lianrong Zhou, Peifen Lu, Kang Lin, Yongzhe Ma, Shengzhe Pan, Chenxu Lu, Wenyu Jiang, Fenghao Sun, Wenbin Zhang, Hui Li, Xiaochun Gong, Ilya Sh. Averbukh, Yehiam Prior, Constant A. Schouder, Henrik Stapelfeldt, Igor N. Cherepanov, Mikhail Lemeshko, Wolfgang Jäger, and Jian Wu:“Femtosecond Rotational Dynamics of D2 Molecules in Superfluid Helium Nanodroplets.” Phys. Rev. Lett. 128, 243201 - 1-7 (2022). DOI: 10.1103/PhysRevLett.128.243201 Qian Yang, Colton D. Carlson, Wolfgang Jäger, and Yunjie Xu:“Conformational Landscape of the Hydrogen-Bonded 1-Phenyl-2,2,2-Trilfuoroethanol···1,4-Dioxane Complex: Dispersion Interactions and Conformational Conversion.” J. Phys. Chem. A 126, 2942-2949 (2022). DOI: /10.1021/acs.jpca.2c01667 Bowei Wu, Nathan A. Seifert, Aran Insausti, Jiarui Ma, Sönke Oswald, Wolfgang Jäger and Yunjie Xu:“2,2,3,3,3-Pentafluoro-1-Propanol and its Dimer: Structural Diversity, Conformational Conversion, and Tunnelling Motion.” Phys. Chem. Chem. Phys. 24, 14975-14984 (2022). DOI: 10.1039/d2cp01895k Arsh S. Hazrah, Sadisha Nanayakkara, Nathan A. Seifert, Elfi Kraka and Wolfgang Jäger:“Structural Study of 1- and 2-Naphthol: New Insights into the Noncovalent H-H Interaction in cis-1-Naphthol.” Phys. Chem. Chem. Phys. 24, 3722-3732 (2022). DOI: 10.1039/D1CP05632H A.J. Feinberg, D. Verma, S.M.O. O’Connell-Lopez, S. Erukala, R.M.P. Tanyag, W. Pang, C.A. Saladrigas, B.W. Toulson, M. Borgwardt, N. Shivaram, M.-F. Lin, A. Al Haddad, W. Jäger, C. Bostedt, P. Walter, O. Gessner, and A.F. Vilesov:“Aggregation of Solutes in Bosonic versus Fermionic Quantum Fluids.” Sci. Adv. 7, eabk2247 - 1-5 (2021). DOI: 10.1126/sciadv.abk2247 Bowei Wu, Arsh S. Hazrah, Nathan A. Seifert, Sönke Oswald, Wolfgang Jäger, and Yunjie Xu:“Higher-Energy Hexafluoroisopropanol···Water Isomer and Its Large Amplitude Motions: Rotational Spectra and DFT Calculations.” J. Phys. Chem. A 125, 10401-10409 (2021). DOI: /10.1021/acs.jpca.1c09058 Arsh S. Hazrah, Mohamad Al-Jabiri, Raiden Speelman and Wolfgang Jäger:“A Rotational Spectroscopic and ab initio Study of cis- and trans-(-)-Carveol: Further Insights into Conformational Dynamics in Monoterpenes and Monoterpenoids.” Phys. Chem. Chem. Phys. 23, 15159-15168 (2021). DOI:10.1039/D1CP02101J S. Izadnia, A. C. LaForge, F. Stienkemeier, James R. Cheeseman, Julien Bloino, Joseph Cheramy, Wolfgang Jäger and Yunjie Xu:“Unusual Binary Aggregates of Perylene Bisimide Revealed by their Electronic Transitions in Helium Nanodroplets and DFT Calculations.” Phys. Chem. Chem. Phys. 23, 13862-13872 (2021). DOI: 10.1039/D1CP01923F Bowei Wu, Nathan A. Seifert, Sönke Oswald, Wolfgang Jäger and Yunjie Xu:“Rotational Spectrum and Molecular Structures of the Binary Aggregates of 1,1,1,3,3,3-Hexafluoro-2-propanol with Ne and Ar.” J. Phys. Chem. A 125, 5355-5364 (2021). DOI: 10.1021/acs.jpca.1c03757 Fan Xie, Nathan A. Seifert, Arsh S. Hazrah, Wolfgang Jäger and Yunjie Xu:“Conformational Landscape, Chirality Recognition and Chiral Analyses: Rotational Spectroscopy of Tetrahydro-2-Furoic Acid···Propylene Oxide Conformers.” Chem. Phys. Chem. 22, 455-460 (2021). DOI: 10.1002/cphc.202000995 Qian Yang, Fan Xie, Tao Lu, Nina Bui, Wolfgang Jäger and Yunjie Xu:“Hydrogen Bonding Interactions in the 1,1,1,3,3,3-Hexafluoro-2-Propanol···1,4-Dioxane complex: Rotational Spectroscopy and Density Functional Theory Calculations.” J. Molec. Spectrosc. 376, 111408 - 1-6 (2021). DOI: 10.1016/j.jms.2020.111408 Javix Thomas, Isabel Peña, Colton D. Carlson, Yisi Yang, Wolfgang Jäger and Yunjie Xu:“Structural and Dynamical Features of the 2,2,2-Trifluoroethanol···Ammonia Complex.” Phys. Chem. Chem. Phys. 22, 23019-23027 (2020). DOI:10.1039/D0CP03329D Fan Xie, Marco Fusè, Arsh S. Hazrah, Wolfgang Jäger, Vincenzo Barone, and Yunjie Xu:“Discovering the Elusive Global Minimum in a Ternary Chiral Cluster: Rotational Spectra of Propylene Oxide Trimer.” Angew. Chem. Int. Ed., 59, 22427-22430 (2020). DOI: 10.1002/anie.202010055 D. Verma, S.M.O. O’Connell, A.J. Feinberg, S. Erukala1 R.M.P. Tanyag, C. Bernando, W. Pang, C.A. Saladrigas, B.W. Toulson, M. Borgwardt, N. Shivaram, M.-F. Lin, A. Al Haddad, W. Jäger, C. Bostedt, P. Walter, O. Gessner, and A.F. Vilesov:“Shapes of Rotating Normal Fluid 3He versus Superfluid 4He Droplets in Molecular Beams.” Phys. Rev. B 102, 014504 - 1-9 (2020). DOI: 10.1103/PhysRevB.102.014504 Fan Xie, Nathan A. Seifert, Wolfgang Jäger and Yunjie Xu:“Conformational Panorama and Chirality Controlled Structure–Energy Relationship in a Chiral Carboxylic Acid Dimer.” Angew. Chem. Int. Ed. 59, 15703-15710 (2020). DOI: 10.1002/anie.202005685 Tao Lu, Fan Xie, Nathan A. Seifert, Wolfgang Jäger and Yunjie Xu:“Conformational Landscape and Intricate Conformational Relaxation Paths of 4,4,4-Trifluoro-1-Butanol: Rotational Spectroscopy and Quantum Chemical Calculations.” J. Mol. Struct. 1217, 128359 - 1-12 (2020). DOI: 10.1016/j.molstruc.2020.128359 Fan Xie, Nathan A. Seifert, Matthias Heger, Javix Thomas, Wolfgang Jäger and Yunjie Xu:“The Rich Conformational Landscape of Perillyl Alcohol Revealed by Broadband Rotational Spectroscopy and Theoretical Modelling.” Phys. Chem. Chem. Phys. 21, 15408-15416 (2019). DOI: 10.1039/c9cp03028j Jiao Gao, Nathan A. Seifert, and Wolfgang Jäger:“A Microwave Spectroscopic and ab initio Study of Keto-enol Tautomerism and Isomerism in the Cyclohexanone-Water Complex.” Phys. Chem. Chem. Phys. 21, 12872-12880 (2019). DOI: 10.1039/C9CP01999E Nathan A. Seifert, Arsh S. Hazrah, and Wolfgang Jäger:“The 1-naphthol Dimer and its Surprising Preference for π-π Stacking over Hydrogen Bonding.” J. Phys. Chem. Lett. 10, 2836-2841 (2019). DOI:10.1021/acs.jpclett.9b00646 Sönke Oswald, Nathan A. Seifert, Fabian Bohle, Maxim Gawrilow, Stefan Grimme, Wolfgang Jäger, Yunjie Xu, and Martin A. Suhm:“The Chiral Trimer and a Metastable Chiral Dimer of Achiral Hexafluoroisopropanol: A Multi-Messenger Study.” Angew. Chem. Int. Ed. 58, 5080-5084 (2019) DOI:10.1002/anie.201813881.