The papers below are relevant to the MRR technique. For surveys of the science behind MRR, see the articles in green.  Articles recently added here are marked new.

2023

• new “Precision deuteration using Cu-catalyzed transfer hydrodeuteration to access small molecules deuterated at the benzylic position” | Samantha E. Sloane, Zoua Pa Vang, Genevieve Nelson, Lihan Qi, Reilly E. Sonstrom, Isabella Y. Alansari, Kiera T. Behlow, Brooks H. Pate, Sharon R. Neufeldt, and Joseph R. Clark | J. Am. Chem. Soc. Au 2023, in press. DOI: 10.1021/jacsau.3c00053.
• new “Rapid enantiomeric excess measurement of enantioisotopomers by molecular rotational resonance spectroscopy” | Reilly E. Sonstrom, Zoua Pa Vang, Haley N. Scolati, Justin L. Neill, Brooks H. Pate, and Joseph R. Clark | Org. Process Res. Dev. 2023, in press. DOI: 10.1021/acs.oprd.3c00028.
• new “Essential oil composition and enantioselective profile of Agastache urticifolia (Lamiaceae) and Monardella odoratissima (Lamiaceae) from Utah” | Tyler M. Wilson, Audra Davis, Reilly E. Sonstrom, Justin L. Neill, Emma A. Ziebarth, Arial Poulson, and Richard E. Carlson | Molecules 2023, 28(5), 2249.
• “Benchmark structures and conformational landscapes of amino acids in the gas phase: A joint venture of machine learning, quantum chemistry, and molecular spectroscopy” |Vincenzo Barone, Marco Fuse, Federico Lazzari, and Giordano Mancini | J. Chem. Theory Comput. 2023, 19, 4, 1243-1260.
• “Gas-phase computational spectroscopy: The challenge of the molecular bricks of life” | Vincenzo Barone and Cristina Puzzarini | Annu. Rev. Phys. Chem. 2023, 74, 29-52.

2022

• “Enantioselective synthesis of enantioisotopomers with quantitative chiral analysis by chiral tag rotational spectroscopy” | Mitchell D. Mills*, Reilly E. Sonstrom*, Zoua Pa Vang*, Justin L. Neill, Haley N. Scolati, Channing T. West, Brooks H. Pate, and Joseph R. Clark | Angew. Chem. Int. Ed. 2022, 61, e202207275.
• “High Information Spectroscopic Detection Techniques for Gas Chromatograpy” | Saba Aslani and Daniel W. Armstrong | J. Chromat. A 2022, 1676, 463255.
• “Chiral analysis of linalool, an important natural fragrance and flavor compound, by molecular rotational resonance spectroscopy” | Reilly E. Sonstrom, Donald M. Cannon, and Justin L. Neill | Symmetry 2022, 14, 917.
• “Unleashing the shape of L-DOPA at last” | Miguel Sanz-Novo, Iker Leon, Elena R. Alonso, and Jose L. Alonso | Phys. Chem. Chem. Phys. 2022, 24, 3546-3554.
• “Chiral Analysis of Pantolactone with Molecular Rotational Resonance Spectroscopy” | Reilly E. Sonstrom, Justin L. Neill, Alexander V. Mikhonin, Reinhard Doetzer, and Brooks H. Pate | Chirality 2022, 34, 114-125.

2021

• “Enhancing Sensitivity for High-Selectivity Gas Chromatography-Molecular Rotational Resonance Spectroscopy” | M. Farooq Wahab, Saba Aslani, Alexander V. Mikhoin, Justin L. Neill, and Daniel W. Armstrong | Anal. Chem. 2021, 2021, 93, 15525-15533.
• “The Gas-Phase Microwave Spectrum of Sabinene Revisited Reveals New Structural Parameters” | Mhamad Chrayteh, Therese R. Huet, and Pascal Drean | J. Mol. Struct. 2021, 1240, 130515.
• “Microwave Study of Triflic Acid Hydrates: Evidence for the Transition from Hydrogen-Bonded Clusters to a Microsolvated Ion Pair” | Anna K. Huff, Nathan Love, and Kenneth R. Leopold | J. Phys. Chem. A. 2021, 125, 8033-8046.
• “The Structure of Isolated Thalidomide as Reference for its Chirality-Dependent Biological Activity: A Laser-Ablation Rotational Study” | Susana Blanco, Alberto Macario, Juan Carlos Lopez | Phys. Chem. Chem. Phys. 2021, 23, 13705-13713.
• “Conformational Dynamics of Perfluorooctanoic Acid (PFOA) Studied with Molecular Rotational Resonance (MRR) Spectroscopy” | Rebekah N. Schilberg, Suying Wei, Sylvestre Twagirayezu, Justin L. Neill | Chem. Phys. Lett. 2021, 778, 138789.
• “Copper-Catalyzed Transfer Hydrodeuteration of Aryl Alkenes with Quantitative Isotopomer Purity Analysis by Molecular Rotational Resonance Spectroscopy” | Zoua Pa Vang, Albert Reyes, Reilly E. Sonstrom, Martin S. Holdren, Samantha E. Sloane, Isabella Y. Alansari, Justin L. Neill, Brooks H. Pate, Joseph R. Clark | J. Am. Chem. Soc. 2021, 143, 7707-7718.
• “Detecting combustion intermediates via broadband chirped-pulse microwave spectroscopy” | Sean M. Fritz, Piyush Mishra, Julia Wullenkord, Paul G. Fugazzi, Katharina Kohse-Hoinghaus, Timothy S. Zwier, Nils Hansen | Proc. Combust. Inst. 2021, 38, 1761-1769.
• “Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm”  | Daniel P. Zaleski, Raghu Sivaramakrishnan, Hailey R. Weller, Nathan A. Seifert, David H. Bross, Branko Ruscic, Kevin B. Moore III, Sarah N. Elliott, Andreas V. Copan, Lawrence B. Harding, Stephen J. Klippenstein, Robert W. Field, Kirill Prozument | J. Am. Chem. Soc. 2021, 143, 3124-3142.
• “Dynamic Chiral Self-Recognition in Aromatic Dimers of Styrene Oxide Revealed by Rotational Spectroscopy”  | Sergio R. Domingos, Cristobal Perez, Nora M. Kreienborg, Christian Merten, Melanie Schnell| Comm. Commun. 2021, 4, 32.

2020

• “Rapid Quantification of Isomeric and Dehalogenated Impurities in Pharmaceutical Raw Materials by MRR Spectroscopy”  | Justin L. Neill, Alexander V. Mikhonin, Ted Chen, Reilly E. Sonstrom, Brooks H. Pate | J. Pharm. Biomed. Anal. 2020, 189, 113474.
• “Preparation of cyclohexene isotopologues and stereoisotopomers from benzene”  | Jacob A. Smith, Katy B. Wilson, Reilly E. Sonstrom, Patrick J. Kelleher, Kevin D. Welch, Emmit K. Pert, Karl S. Westendorff, Diane A. Dickie, Xiaoping Wang, Brooks H. Pate, W. Dean Harman | Nature 2020, 581, 288-293.
• “Direct Regioisomer Analysis of Crude Reaction Mixtures via Molecular Rotational Resonance (MRR) Spectroscopy”  | Leo A. Joyce, Danielle Schultz, Edward Sherer, Justin L. Neill, Reilly E. Sonstrom, Brooks H. Pate | Chem. Sci. 2020, in press, doi.org/10.1039/D0SC01853H.
• “A Molecular Detection/Separations System of Singular Specificity”  | Daniel W. Armstrong, Mohsen Talebi, Nimisha Thakur, M. Farooq Wahab, Alexander V. Mikhonin, Matt T. Muckle, Justin L. Neill | Angew Chem. Int. Ed. 2020, 59, 192-196.
• “Assessing the performance of rotational spectroscopy in chiral analysis”  | Sergio R. Domingos, Cristobal Perez, Mark D. Marshall, Helen O. Leung, Melanie Schnell | Chem. Sci. 2020, 11, 10863-10870.
• “Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars” | Camilla Calabrese, Iciar Uriarte, Aran Insausti, Montserrat Vallejo-López, Francisco J. Basterretxea, Stephen A. Cochrane, Benjamin G. Davis, Francisco Corzana, Emilio J. Cocinero | ACS Cent. Sci, 2020, 6, 293-303.

2019 and Earlier

• “Analysis of Thyme Essential Oils Using Gas-Phase Broadband Rotational Spectroscopy” | Maria Mar Quesada-Moreno, Anna Krin, Melanie Schnell | Phys. Chem. Chem. Phys. 2019, 21, 26569-26579.
• “Direct Measurements of Small Polar Impurities in Gasoline Mixtures Using Molecular Rotational Resonance Spectroscopy”  | Artressa L. Christophe, Jalon T. Barnes, Sylvestre Twagirayezu, Aleksander Mikhonin, Matt T. Muckle, Justin L. Neill | Appl. Spectrosc. 2019, 73, 1334.
• “On-line Stereochemical Process Monitoring by Molecular Rotational Resonance Spectroscopy,” | Justin L. Neill, Yuan Yang, Matt T. Muckle, Roger L. Reynolds, Luca Evangelisti, Reilly E. Sonstrom, Brooks H. Pate, B. Frank Gupton | Org. Proc. Res. Dev. 2019, 23, 1046-1051.
• “The Rotational Spectrum of Eugenol as Analyzed with Double Resonance and Grid-Based Autofit,” | Erika J. Riffe, Steven T. Shipman, Sydney A. Gaster, Cameron M. Funderburk, Gordon G. Brown | J. Chem. Phys. A, 2019, 123, 1091-1099.
• “Automated assignment of rotational spectra using artificial neural networks“ | Daniel P. Zaleski, Kirill Prozument | J. Chem. Phys. 2018, 149, 104106.
• “State-Specific Enrichment of Chiral Conformers with Microwave Spectroscopy” | Cristobal Perez, Amanda L. Steber, Anna Krin, Melanie Schnell | J. Phys. Chem. Lett 2018, 9, 4539-4543.
•  “Chiral Analysis by High-Resolution Molecular Rotational Spectroscopy” (chapter 20) B.H. Pate, et al. in Chiral Analysis: Advances in Spectroscopy, Chromatography and Emerging Methods 2nd Ed. Elsevier, Inc. | P.L. Polavarpu, editor.
• “Sensing Chirality with Rotational Spectroscopy” | Sergio R. Domingos, Cristobal Perez, Melanie Schnell| Annu. Rev. Phys. Chem. 2018, 69, 499-519.
• “Cold Snapshot of a Molecular Rotary Motor Captured by High- Resolution Rotational Spectroscopy“ | Sergio R. Domingos, Arjen Cnossen, Wybren J. Buma, Wesley R. Browne, Ben L. Feringa, and Melanie Schnell | Angew. Chem. Int. Ed. 2017, 56, 11209-11212.
• “Automated microwave double resonance spectroscopy: A tool to identify and characterize chemical compounds” | Marie-Aline Martin-Drumel, Michael C. McCarthy, David Patterson, Brett A. McGuire, and Kyle N. Crabtree | The Journal of Chemical Physics Vol. 144, Issue 12, DOI: 10.1063/1.4944089
• “Perspective: The first ten years of broadband chirped pulse Fourier transform microwave spectroscopy”| G. Barrett Park and Robert W. Field | AIP J Chem Physics 144 , 200901 (2016), DOI 10.1063/1.4952762
• “Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy” | Sérgio R. Domingos, Cristóbal Pérez, Chris Medcraft, Pablo Pinacho, and Melanie Schnell | Phys. Chem. Chem. Phys. 18 (25), 16682-16689 (2016)
• “Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism” | Jeremy O. Richardson, Cristóbal Pérez, Simon Lobsiger, Adam A. Reid, Berhane Temelso, George C. Shields, Zbigniew Kisiel, David J. Wales, Brooks H. Pate, Stuart C. Althorpe | Science  18 Mar 2016: Vol. 351, Issue 6279, pp. 1310-1313 DOI: 10.1126/science.aae001
• “Chiral Analysis Using Broadband Rotational Spectroscopy” | V. Alvin Shubert, David Schmitz, Cristóbal Pérez, Chris Medcraft, Anna Krin, Sérgio R. Domingos, David Patterson, and Melanie Schnell | J. Phys. Chem. Lett., 2016, 7 (2), pp 341–350 DOI: 10.1021/acs.jpclett.5b02443
• “Microwave spectral taxonomy: A semi-automated combination of chirped-pulse and cavity Fourier-transform microwave spectroscopy” | Kyle N. Crabtree, Marie-Aline Martin-Drumel, Gordon G. Brown,Sydney A. Gaster, Taylor M. Hall and Michael C. McCarthy | 29 Feb 2016, J. Chem. Phys. 144, 124201 (2016) DOI: 10.1063/1.4944072
• “AUTOFIT an Automated Fitting Tool for Broadband Rotational Spectra, and Applications to 1-Hexanal” | Nathan A. Seifert, Ian A. Finneran, Cristóbal Peréz, Daniel P. Zaleski, Justin L Neill, Amanda L. Steber, Richard D. Suenram, Alberto Lessari, Stephen T. Shipman, Brooks H Pate | J.Mol. Spec. 312, 13-21, 2015
• “Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy” | Simon Lobsinger, Cristóbal Peréz, Luca Evangelist, Kevin K. Lehmann, and Brooks H Pate | J.Phys. Chem. Lett. 6(1), 196-200, 2015
• “Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer” |Cristóbal Pérez, Simon Lobsiger, Nathan A. Seifert, Daniel P. Zaleski, Berhane Temelso, George C. Shields, Zbigniew Kisiel, Brooks H. Pate | Chem. Phys. Lett. 2016, 571, 1-15.
• “Handedness detected by microwaves” | Laurence A. Nafie | Nature 2013, 497, 446-448.
• “Enantiomer-Specific Detection of Chiral Molecules via Microwave Spectroscopy” | D. Patterson, M. Schnell, J. M. Doyle | Nature 497, 475-477, 2013 | (Cover article)
• “Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy” | Cristóbal Pérez, Matt T. Muckle, Daniel P. Zaleski1, Nathan A. Seifert, Berhane Temelso, George C. Shields, Zbigniew Kisiel, Brooks H. Pate | Science 2012, 336, 897-901.
• “Taking the Pulse of Molecular Rotational Spectroscopy” | Brooks H. Pate | Science, 2011, 333, 947-948.
• “A broadband Fourier transform microwave spectrometer based on chirped pulse excitation” | Gordon G. Brown, Brian C. Dian, Kevin O. Douglass, Scott M. Geyer, Steven T. Shipman and Brooks H. Pate | Rev. Sci. Instrum. 2008, 79, 053103.