BP
Brooks H. Pate
rotational spectroscopyMicrowavesastro-ph.GAenantiomeric excessabsolute configurationmicrowave spectroscopychiral analysischiralitycopper catalysisdeuteration
On Valency
published · living versionsW_nvtsms6d·v1 · currentpublished
The Detection of Interstellar Ethanimine (CH3CHNH) from Observations taken during the GBT PRIMOS Survey
with Ryan A. Loomis, Daniel P. Zaleski, Amanda L. Steber, Justin L. Neill +9
1 version
Preprints & journals
79 papers in the corpus · 1999–2026A Green and Highly Selective Approach to Copper-Catalyzed Transfer Hydrodeuteration of Alkenes and Alkynes Using D2O.42206863 · Arzola, Aniel J Rivera, Senatore, Raffaele, Sancheti, Shashank P et al.2026 · 0 citationsChemSusChem. 2026;19(11):e70745
Space filling shapes the interaction networks in mixed pyrrole-benzene trimers and tetramers.41998270 · Lobsiger, Simon, Kisiel, Zbigniew, Glick, Caroline S et al.2026 · 1 citationCommunications chemistry. 2026;9(1)
Semi-Reduction of Allenes to Access Deuterated Allylic Isotopomers, Isotopologs and Enantioisotopomers.41674376 · Qi, Lihan, Thorat, Raviraj Ananda, Maxwell, Brad D et al.2026 · 5 citationsAngewandte Chemie (International ed. in English). 2026;65(13):e25850
Quantitative Chiral Analysis by Molecular Rotational Spectroscopy Using Noncovalent Derivatization.41591921 · Evangelisti, Luca, Pate, Brooks H2026 · 1 citationAnnual review of physical chemistry. 2026;77(1):247-270
Stepwise Hydration Reveals Conformational Switching in Chiral Prolinol.41381997 · Loru, Donatella, Alonso, Elena R, Insausti, Aran et al.2026 · 2 citationsJournal of the American Chemical Society. 2025;147(51):47126-47137
Application of Intensity Ratios to Disentangle Rotational Spectra of Large Molecular Clusters: Trifluoroethylene with up to 6 CO2 Molecules.41170970 · Gilbert, Kyle C, Peebles, Sean A, Pate, Brooks H et al.2025 · 3 citationsThe journal of physical chemistry. A. 2025;129(45):10393-10403
Optimizing the Synthesis of Deuterated Isotopomers and Isotopologues of Cyclohexene using Molecular Rotational Resonance Spectroscopy.40937723 · Weatherford-Pratt, Justin T, Smith, Jacob A, Holdren, Martin S et al.2026 · 6 citationsJournal of the American Chemical Society. 2025;147(38):35055-35068
Rotational Spectroscopy Pinpoints the Tetrahydrate as the Onset of Water Self-Aggregation in Sevoflurane Hydration.40758443 · Steber, Amanda L, Evangelisti, Luca, Lobsiger, Simon et al.2025 · 1 citationThe journal of physical chemistry letters. 2025;16(32):8209-8215
Water Cooperativity Impacts Aromatic Interactions in the Aggregation of Benzene with Water.40211486 · Steber, Amanda L, Hussain, Farha S, Lesarri, Alberto et al.2025 · 5 citationsJournal of the American Chemical Society. 2025;147(23):19568-19574
Designing chemical systems for precision deuteration of medicinal building blocks.39349937 · Dabbs, Jonathan D, Taylor, Caleb C, Holdren, Martin S et al.2024 · 19 citationsNature communications. 2024;15(1):8473
Determining 3D structure from molecular formula and isotopologue rotational spectra in natural abundance with reflection-equivariant diffusion.38545949 · Cheng, Austin H, Lo, Alston, Miret, Santiago et al.2024 · 9 citationsThe Journal of chemical physics. 2024;160(12)
Analysis of isomeric mixtures by molecular rotational resonance spectroscopy.38716067 · Neill, Justin L, Evangelisti, Luca, Pate, Brooks H2024 · 20 citationsAnalytical science advances. 2023;4(5-6):204-219
Assignment of the absolute configuration of molecules that are chiral by virtue of deuterium substitution using chiral tag molecular rotational resonance spectroscopy.37277968 · Vang, Zoua Pa, Sonstrom, Reilly E, Scolati, Haley N et al.2024 · 13 citationsChirality. 2023;35(11):856-883
Precision Deuteration Using Cu-Catalyzed Transfer Hydrodeuteration to Access Small Molecules Deuterated at the Benzylic Position.37388686 · Sloane, Samantha E, Vang, Zoua Pa, Nelson, Genevieve et al.2024 · 26 citationsJACS Au. 2023;3(6):1583-1589
Rapid Enantiomeric Excess Measurements of Enantioisotopomers by Molecular Rotational Resonance Spectroscopy.38046274 · Sonstrom, Reilly E, Vang, Zoua Pa, Scolati, Haley N et al.2023 · 20 citationsOrganic process research & development. 2023;27(7):1185-1197
Accuracy of quantum chemistry structures of chiral tag complexes and the assignment of absolute configuration.36374162 · Mayer, Kevin, West, Channing, Marshall, Frank E et al.2022 · 26 citationsPhysical chemistry chemical physics : PCCP. 2022;24(45):27705-27721
Competition between In-Plane vs Above-Plane Configurations of Water with Aromatic Molecules: Non-Covalent Interactions in 1,4-Naphthoquinone-(H2O)1-3 Complexes.36200782 · Baweja, Shefali, Panchagnula, Sanjana, Sanz, M Eugenia et al.2022 · 18 citationsThe journal of physical chemistry letters. 2022;13(40):9510-9516
Enantioselective Synthesis of Enantioisotopomers with Quantitative Chiral Analysis by Chiral Tag Rotational Spectroscopy.35700045 · Mills, Mitchell D, Sonstrom, Reilly E, Vang, Zoua Pa et al.2022 · 49 citationsAngewandte Chemie (International ed. in English). 2022;61(33):e202207275
The First Stages of Nanomicelle Formation Captured in the Sevoflurane Trimer.35446045 · Steber, Amanda L, Li, Wenqin, Pate, Brooks H et al.2022 · 14 citationsThe journal of physical chemistry letters. 2022;13(16):3770-3775
Chiral analysis of pantolactone with molecular rotational resonance spectroscopy.34698412 · Sonstrom, Reilly E, Neill, Justin L, Mikhonin, Alexander V et al.2022 · 32 citationsChirality. 2022;34(1):114-125
σ-Hole activation and structural changes upon perfluorination of aryl halides: direct evidence from gas phase rotational spectroscopy.34397049 · Lv, Dingding, Maris, Assimo, Evangelisti, Luca et al.2021 · 6 citationsPhysical chemistry chemical physics : PCCP. 2021;23(33):18093-18101
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane.34028158 · Calabrese, Camilla, Temelso, Berhane, Usabiaga, Imanol et al.2024 · 19 citationsAngewandte Chemie (International ed. in English). 2021;60(31):16894-16899
Copper-Catalyzed Transfer Hydrodeuteration of Aryl Alkenes with Quantitative Isotopomer Purity Analysis by Molecular Rotational Resonance Spectroscopy.34000182 · Vang, Zoua Pa, Reyes, Albert, Sonstrom, Reilly E et al.2021 · 65 citationsJournal of the American Chemical Society. 2021;143(20):7707-7718
Structural Changes Induced by Quinones: High-Resolution Microwave Study of 1,4-Naphthoquinone.32954594 · Saxena, Shefali, Panchagnula, Sanjana, Sanz, M Eugenia et al.2021 · 17 citationsChemphyschem : a European journal of chemical physics and physical chemistry. 2020;21(23):2579-2584
Rapid quantification of isomeric and dehalogenated impurities in pharmaceutical raw materials using MRR spectroscopy.32738746 · Neill, Justin L, Mikhonin, Alexander V, Chen, Ted et al.2021 · 28 citationsJournal of pharmaceutical and biomedical analysis. 2020;189:113474
Direct regioisomer analysis of crude reaction mixtures via molecular rotational resonance (MRR) spectroscopy.32953028 · Joyce, Leo A, Schultz, Danielle M, Sherer, Edward C et al.2024 · 21 citationsChemical science. 2020;11(24):6332-6338
Preparation of cyclohexene isotopologues and stereoisotopomers from benzene.32433618 · Smith, Jacob A, Wilson, Katy B, Sonstrom, Reilly E et al.2020 · 111 citationsNature. 2020;581(7808):288-293
Molecular Structure of 1-Isocyano-1-silacyclopent-3-ene: A Combined Microwave Spectral and Theoretical Study.31034227 · Guirgis, Gamil A, Sonstrom, Reilly E, Clark, Austin J et al.2019 · 1 citationThe journal of physical chemistry. A. 2019;123(20):4389-4395
Isomerism of the Aniline Trimer.30284357 · Pérez, Cristóbal, León, Iker, Lesarri, Alberto et al.2019 · 28 citationsAngewandte Chemie (International ed. in English). 2018;57(46):15112-15116
Exploring the Rich Potential Energy Surface of (H2O)11 and Its Physical Implications.29328634 · Temelso, Berhane, Klein, Katurah L, Mabey, Joel W et al.2018 · 25 citationsJournal of chemical theory and computation. 2018;14(2):1141-1153
Capturing the Elusive Water Trimer from the Stepwise Growth of Water on the Surface of the Polycyclic Aromatic Hydrocarbon Acenaphthene.29112436 · Steber, Amanda L, Pérez, Cristóbal, Temelso, Berhane et al.2018 · 64 citationsThe journal of physical chemistry letters. 2017;8(23):5744-5750
Chiral Imprinting in the Gas Phase.29116681 · Pratt, David W, Pate, Brooks H2019 · 6 citationsAngewandte Chemie (International ed. in English). 2017;56(51):16122-16124
The gas-phase structure of the asymmetric, trans-dinitrogen tetroxide (N2O4), formed by dimerization of nitrogen dioxide (NO2), from rotational spectroscopy and ab initio quantum chemistry.28390374 · Seifert, Nathan A, Zaleski, Daniel P, Fehnel, Robert et al.2018 · 18 citationsThe Journal of chemical physics. 2017;146(13):134305
Effect of aromatic ring fluorination on CHπ interactions: microwave spectrum and structure of the 1,2-difluorobenzeneacetylene dimer.27530245 · Akmeemana, Anuradha G, Kang, Justin M, Dorris, Rachel E et al.2018 · 5 citationsPhysical chemistry chemical physics : PCCP. 2016;18(35):24290-8
Molecular Polymorphism: Microwave Spectra, Equilibrium Structures, and an Astronomical Investigation of the HNCS Isomeric Family1607.03799v1 · Brett A. McGuire, Marie-Aline Martin-Drumel, Sven Thorwirth et al.2016 · 31 citationsarXiv
The Conformational Map of Volatile Anesthetics: Enflurane Revisited.27258776 · Pérez, Cristóbal, Caballero-Mancebo, Elena, Lesarri, Alberto et al.2018 · 6 citationsChemistry (Weinheim an der Bergstrasse, Germany). 2016;22(28):9804-11
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.26989250 · Richardson, Jeremy O, Pérez, Cristóbal, Lobsiger, Simon et al.2016 · 347 citationsScience (New York, N.Y.). 2016;351(6279):1310-3
Molecular Structure of Cyclopropyl (Isocyanato) Silane: A Combined Microwave Spectral and Theoretical Study.26580291 · Guirgis, Gamil A, Askarian, Sahand M, Morris, Tamia et al.2016 · 5 citationsThe journal of physical chemistry. A. 2015;119(49):11875-81
Microwave, r0 Structural Parameters, Conformational Stability, and Vibrational Assignment of (Chloromethyl)fluorosilane.26436757 · Guirgis, Gamil A, Sawant, Dattatray K, Brenner, Reid E et al.2016 · 4 citationsThe journal of physical chemistry. A. 2015;119(47):11532-47
Chiral recognition and atropisomerism in the sevoflurane dimer.25959977 · Seifert, Nathan A, Pérez, Cristóbal, Neill, Justin L et al.2015 · 27 citationsPhysical chemistry chemical physics : PCCP. 2015;17(28):18282-7
Theory vs. experiment for molecular clusters: Spectra of OCS trimers and tetramers.25770542 · Evangelisti, Luca, Perez, Cristobal, Seifert, Nathan A et al.2015 · 30 citationsThe Journal of chemical physics. 2015;142(10):104309
The molecular structure of methylfluoroisocyanato silane: a combined microwave spectral and theoretical study.25551546 · Guirgis, Gamil A, Overby, Jason S, Barker, Timothy J et al.2015 · 5 citationsThe journal of physical chemistry. A. 2015;119(4):652-8
Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy.26263113 · Lobsiger, Simon, Perez, Cristobal, Evangelisti, Luca et al.2015 · 96 citationsThe journal of physical chemistry letters. 2015;6(1):196-200
Water-water and water-solute interactions in microsolvated organic complexes.25413278 · Pérez, Cristóbal, Neill, Justin L, Muckle, Matthew T et al.2016 · 74 citationsAngewandte Chemie (International ed. in English). 2015;54(3):979-82
Hydrogen bond cooperativity and the three-dimensional structures of water nonamers and decamers.25348841 · Pérez, Cristóbal, Zaleski, Daniel P, Seifert, Nathan A et al.2015 · 145 citationsAngewandte Chemie (International ed. in English). 2014;53(52):14368-72
Benzene···acetylene: a structural investigation of the prototypical CH···π interaction.24686437 · Ulrich, Nathan W, Seifert, Nathan A, Dorris, Rachel E et al.2015 · 15 citationsPhysical chemistry chemical physics : PCCP. 2014;16(19):8886-94
Probing the C-H⋅⋅⋅π weak hydrogen bond in anesthetic binding: the sevoflurane-benzene cluster.24520035 · Seifert, Nathan A, Zaleski, Daniel P, Pérez, Cristóbal et al.2015 · 40 citationsAngewandte Chemie (International ed. in English). 2014;53(12):3210-3
Effect of aromatic ring fluorination on CH···π interactions: rotational spectrum and structure of the fluorobenzene···acetylene weakly bound dimer.24060903 · Ulrich, Nathan W, Songer, Tabitha S, Peebles, Rebecca A et al.2014 · 10 citationsPhysical chemistry chemical physics : PCCP. 2013;15(41):18148-54
Microwave, infrared-microwave double resonance, and theoretical studies of C2H4···H2S complex.24050340 · Goswami, M, Neill, J L, Muckle, M et al.2014 · 21 citationsThe Journal of chemical physics. 2013;139(10):104303
Segmented chirped-pulse Fourier transform submillimeter spectroscopy for broadband gas analysis.24105522 · Neill, Justin L, Harris, Brent J, Steber, Amanda L et al.2014 · 86 citationsOptics express. 2013;21(17):19743-9
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