Brooks H. Pate

William R. Kenan, Jr Profship in Chemistry, Chemistry

Website

http://faculty.virginia.edu/bpate-lab/

Bio & Overview

Our group studies the dynamics of molecules with significant amounts of vibrational energy. The flow of vibrational energy in a molecule, a process known as intramolecular vibrational energy redistribution (IVR), lies at the heart of chemical reactivity. We study the kinetics of energy flow in isolated molecules and molecules in solution. A major emphasis of our work is understanding the spectroscopy of molecules as the IVR process, and possibly reaction, occurs. In particular, we are interested in how coherent excitation of highly excited molecules can be used to influence reaction products. We have developed a new type of molecular spectroscopy called dynamic rotational spectroscopy to study isomerization reactions of isolated molecules. The basis of rotational (or microwave) spectroscopy is that the geometry determines the measured rotational frequencies. When the molecule has more energy than the barrier to isomerization, reaction can occur and the geometry becomes time dependent. As a result, the rotational frequency is modulated by the reaction rate. When the reaction causes the frequency to switch between the characteristic values of the reactant and product, the spectrum undergoes the phenomenon known as coalescence. Therefore, the isomerization kinetics can be investigated through the changes in the line shape of the rotational spectrum. We have developed new high-resolution, molecular-beam spectroscopy techniques to obtain the rotational spectrum of single quantum states of a highly excited molecule. These measurements combine ultrasensitive infrared laser spectroscopy methods with strong-field microwave excitation. Application of this technique to conformational isomerization reactions has shown that this class of reactions violates the predictions of quantum transition state theory. We are presently developing new techniques to improve our sensitivity for single quantum state measurements and to extend our measurements to higher energy. A more complete description of the projects we are currently pursuing can be found on our research group web pages. The second area of research in our group investigates the vibrational dynamics of molecules in dilute solution. Using our molecular-beam spectroscopy techniques we can quantitatively measure energy flow rates for the isolated molecule. Our goal for solution phase studies is to understand how solvent molecules modify the dynamics and reactivity of the isolated molecule. This work is performed in the Ultrafast Laser Facility that is part of the universitys SELIM program. We have an impressive array of laser tools available for this work including a two-color femtosecond laser system, a two-color picosecond laser system, and a 32-element infrared array detector for multichannel detection. Our first studies have shown that the basic features of isolated molecule IVR dynamics are preserved in solution. In particular, we have found that a new relaxation channel opens for large molecules that correlates with the onset of fast IVR in the isolated system. From this work, we can identify a time window where the molecule in solution retains the energy deposited by the laser (i.e. before interaction with the solvent causes conversion of the internal energy to heat). Knowing this time scale gives us a window of opportunity to study the spectroscopy and kinetics of the vibrationally hot molecule. Examples of our recent work in this area, as well as descriptions of projects planned for the near future, can be found on our research web pages.

Academic Information

Department: Chemistry

Academic Title: Professor

Research Interests

Vibrational Dynamics and the Spectroscopy of Highly Excited Molecules

Selected Publications

2022

Mayer, K., West, C., Marshall, F. E., Sedo, G., Grubbs, G. S., Evangelisti, L., & Pate, B. H. (2022). Accuracy of quantum chemistry structures of chiral tag complexes and the assignment of absolute configuration. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24(45), 27705-27721. doi:10.1039/d2cp04060c

2020

Smith, J. A., Wilson, K. B., Sonstrom, R. E., Kelleher, P. J., Welch, K. D., Pert, E. K., . . . Harman, W. D. (2020). Preparation of cyclohexene isotopologues and stereoisotopomers from benzene. NATURE, 581(7808), 288-+. doi:10.1038/s41586-020-2268-y

Martinez, M. A., West, C. T., Pate, B. H., Peebles, S. A., & Peebles, R. A. (2020). Investigation of a polar form of fluoroethylene dimer, (C₂H₃F)₂, by microwave spectroscopy. JOURNAL OF MOLECULAR STRUCTURE, 1211. doi:10.1016/j.molstruc.2020.128038

2019

Guirgis, G. A., Sonstrom, R. E., Clark, A. J., Pate, B. H., & Palmer, M. H. (2019). Molecular Structure of 1-Isocyano-1-silacyclopent-3-ene: A Combined Microwave Spectral and Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY A, 123(20), 4389-4395. doi:10.1021/acs.jpca.9b00652

Giuliano, B. M., Bizzocchi, L., Charmet, A. P., Arenas, B. E., Steber, A. L., Schnell, M., . . . Belloche, A. (2019). Rotational spectroscopy of imidazole: improved rest frequencies for astrophysical searches. ASTRONOMY & ASTROPHYSICS, 628. doi:10.1051/0004-6361/201935769

Neill, J. L., Yang, Y., Muckle, M. T., Reynolds, R. L., Evangelisti, L., Sonstrom, R. E., . . . Gupton, B. F. (2019). Online Stereochemical Process Monitoring by Molecular Rotational Resonance Spectroscopy. ORGANIC PROCESS RESEARCH & DEVELOPMENT, 23(5), 1046-1051. doi:10.1021/acs.oprd.9b00089

2018

Pérez, C., León, I., Lesarri, A., Pate, B. H., Martínez, R., Millán, J., & Fernández, J. A. (2018). Isomerism of the Aniline Trimer. Angewandte Chemie, 130(46), 15332-15336. doi:10.1002/ange.201808602

Perez, C., Leon, I., Lesarri, A., Pate, B. H., Martinez, R., Millan, J., & Fernandez, J. A. (2018). Isomerism of the Aniline Trimer. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 57(46), 15112-15116. doi:10.1002/anie.201808602

Temelso, B., Klein, K. L., Mabey, J. W., Perez, C., Pate, B. H., Kisiel, Z., & Shields, G. C. (2018). Exploring the Rich Potential Energy Surface of (H₂O)₁₁ and Its Physical Implications. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 14(2), 1141-1153. doi:10.1021/acs.jctc.7b00938

Marshall, F. E., Neill, J. L., Muckle, M. T., Pate, B. H., Kisiel, Z., & Grubbs, G. S. I. I. (2018). Observation of ³⁶ArH³⁷Cl, ³⁸ArH³⁵Cl and ³⁸ArH³⁷Cl in natural abundance using CP-FTMW spectroscopy. JOURNAL OF MOLECULAR SPECTROSCOPY, 344, 34-38. doi:10.1016/j.jms.2017.10.009

2017

Pratt, D. W., & Pate, B. H. (2017). Chirale Prägung in der Gasphase. Angewandte Chemie, 129(51), 16338-16340. doi:10.1002/ange.201709438

Steber, A. L., Perez, C., Temelso, B., Shields, G. C., Rijs, A. M., Pate, B. H., . . . Schnell, M. (2017). Capturing the Elusive Water Trimer from the Stepwise Growth of Water on the Surface of the Polycyclic Aromatic Hydrocarbon Acenaphthene. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 8(23), 5744-5750. doi:10.1021/acs.jpclett.7b02695

Pratt, D. W., & Pate, B. H. (2017). Chiral Imprinting in the Gas Phase. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(51), 16122-16124. doi:10.1002/anie.201709438

Seifert, N. A., Zaleski, D. P., Fehnel, R., Goswami, M., Pate, B. H., Lehmann, K. K., . . . Stanton, J. F. (2017). 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. JOURNAL OF CHEMICAL PHYSICS, 146(13). doi:10.1063/1.4979182

Vaquero-Vara, V., Alstadt, V., Sewatsky, T. P., Claughton, J. L., Finneran, I. A., Shipman, S. T., . . . Pratt, D. W. (2017). N-ethylformamide dimer. A β-turn model peptide in the gas phase. JOURNAL OF MOLECULAR SPECTROSCOPY, 335, 102-107. doi:10.1016/j.jms.2016.12.001

2016

Akmeemana, A. G., Kang, J. M., Dorris, R. E., Nelson, R. D., Anderton, A. M., Peebles, R. A., . . . Pate, B. H. (2016). Effect of aromatic ring fluorination on CH•••π interactions: microwave spectrum and structure of the 1,2-difluorobenzene•••acetylene dimer. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(35), 24290-24298. doi:10.1039/c6cp04737h

Perez, C., Caballero-Mancebo, E., Lesarri, A., Cocinero, E. J., Alkorta, I., Suenram, R. D., . . . Pate, B. H. (2016). The Conformational Map of Volatile Anesthetics: Enflurane Revisited. CHEMISTRY-A EUROPEAN JOURNAL, 22(28), 9804-9811. doi:10.1002/chem.201601201

Richardson, J. O., Perez, C., Lobsiger, S., Reid, A. A., Temelso, B., Shields, G. C., . . . Althorpe, S. C. (2016). Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism. SCIENCE, 351(6279), 1310-1313. doi:10.1126/science.aae0012

McGuire, B. A., Martin-Drumel, M. -A., Thorwirth, S., Bruenken, S., Lattanzi, V., Neill, J. L., . . . McCarthy, M. C. (2016). Molecular polymorphism: microwave spectra, equilibrium structures, and an astronomical investigation of the HNCS isomeric family. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(32), 22693-22705. doi:10.1039/c6cp03871a

2015

Guirgis, G. A., Askarian, S. M., Morris, T., Palmer, M. H., Pate, B. H., & Seifert, N. A. (2015). Molecular Structure of Cyclopropyl (Isocyanato) Silane: A Combined Microwave Spectral and Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY A, 119(49), 11875-11881. doi:10.1021/acs.jpca.5b10154

Guirgis, G. A., Sawant, D. K., Brenner, R. E., Deodhar, B. S., Seifert, N. A., Geboes, Y., . . . Durig, J. R. (2015). Microwave, r₀ Structural Parameters, Conformational Stability, and Vibrational Assignment of (Chloromethyl)fluorosilane. JOURNAL OF PHYSICAL CHEMISTRY A, 119(47), 11532-11547. doi:10.1021/acs.jpca.5b06679

Evangelisti, L., Perez, C., Seifert, N. A., Pate, B. H., Dehghany, M., Moazzen-Ahmadi, N., & McKellar, A. R. W. (2015). Theory vs. experiment for molecular clusters: Spectra of OCS trimers and tetramers. JOURNAL OF CHEMICAL PHYSICS, 142(10). doi:10.1063/1.4914323

Guirgis, G. A., Overby, J. S., Barker, T. J., Palmer, M. H., Pate, B. H., & Seifert, N. A. (2015). The Molecular Structure of Methylfluoroisocyanato Silane: A Combined Microwave Spectral and Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY A, 119(4), 652-658. doi:10.1021/jp511354j

Pérez, C., Neill, J. L., Muckle, M. T., Zaleski, D. P., Peña, I., Lopez, J. C., . . . Pate, B. H. (2015). Water–Water and Water–Solute Interactions in Microsolvated Organic Complexes. Angewandte Chemie, 127(3), 993-996. doi:10.1002/ange.201409057

Seifert, N. A., Finneran, I. A., Perez, C., Zaleski, D. P., Neill, J. L., Steber, A. L., . . . Pate, B. H. (2015). AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal. JOURNAL OF MOLECULAR SPECTROSCOPY, 312, 13-21. doi:10.1016/j.jms.2015.02.003

Seifert, N. A., Perez, C., Neill, J. L., Pate, B. H., Vallejo-Lopez, M., Lesarri, A., . . . Castano, F. (2015). Chiral recognition and atropisomerism in the sevoflurane dimer. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(28), 18282-18287. doi:10.1039/c5cp01025j

2014

Lobsiger, S., Perez, C., Evangelisti, L., Lehmann, K. K., & Pate, B. H. (2015). Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 6(1), 196-200. doi:10.1021/jz502312t

Pérez, C., Zaleski, D. P., Seifert, N. A., Temelso, B., Shields, G. C., Kisiel, Z., & Pate, B. H. (2014). Hydrogen Bond Cooperativity and the Three‐Dimensional Structures of Water Nonamers and Decamers. Angewandte Chemie, 126(52), 14596-14600. doi:10.1002/ange.201407447

Perez, C., Neill, J. L., Muckle, M. T., Zaleski, D. P., Pena, I., Lopez, J. C., . . . Pate, B. H. (2015). Water-Water and Water-Solute Interactions in Microsolvated Organic Complexes. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54(3), 979-982. doi:10.1002/anie.201409057

Perez, C., Zaleski, D. P., Seifert, N. A., Temelso, B., Shields, G. C., Kisiel, Z., & Pate, B. H. (2014). Hydrogen Bond Cooperativity and the Three-Dimensional Structures of Water Nonamers and Decamers. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 53(52), 14368-14372. doi:10.1002/anie.201407447

Seifert, N. A., Zaleski, D. P., Pérez, C., Neill, J. L., Pate, B. H., Vallejo‐López, M., . . . Kleiner, I. (2014). Probing the CH⋅⋅⋅π Weak Hydrogen Bond in Anesthetic Binding: The Sevoflurane–Benzene Cluster. Angewandte Chemie, 126(12), 3274-3277. doi:10.1002/ange.201309848

Seifert, N. A., Zaleski, D. P., Perez, C., Neill, J. L., Pate, B. H., Vallejo-Lopez, M., . . . Kleiner, I. (2014). Probing the C-H Weak Hydrogen Bond in Anesthetic Binding: The Sevoflurane-Benzene Cluster. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 53(12), 3210-3213. doi:10.1002/anie.201309848

Ulrich, N. W., Seifert, N. A., Dorris, R. E., Peebles, R. A., Pate, B. H., & Peebles, S. A. (2014). Benzene acetylene: a structural investigation of the prototypical CH. . .π interaction. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(19), 8886-8894. doi:10.1039/c4cp00845f

Durig, J. R., Guirgis, G. A., Sawant, D. K., Seifert, N. A., Deodhar, B. S., Pate, B. H., . . . Askarian, S. M. (2014). Microwave, r₀ structural parameters, conformational stability and vibrational assignment of cyclopropylcyanosilane. CHEMICAL PHYSICS, 445, 68-81. doi:10.1016/j.chemphys.2014.10.004

2013

Ulrich, N. W., Songer, T. S., Peebles, R. A., Peebles, S. A., Seifert, N. A., Perez, C., & Pate, B. H. (2013). Effect of aromatic ring fluorination on CH•••π interactions: rotational spectrum and structure of the fluorobenzene•••acetylene weakly bound dimer. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15(41), 18148-18154. doi:10.1039/c3cp53399a

Goswami, M., Neill, J. L., Muckle, M., Pate, B. H., & Arunan, E. (2013). Microwave, infrared-microwave double resonance, and theoretical studies of C₂H₄•••H₂S complex. JOURNAL OF CHEMICAL PHYSICS, 139(10). doi:10.1063/1.4819787

Neill, J. L., Harris, B. J., Steber, A. L., Douglass, K. O., Plusquellic, D. F., & Pate, B. H. (2013). Segmented chirped-pulse Fourier transform submillimeter spectroscopy for broadband gas analysis. OPTICS EXPRESS, 21(17), 19743-19749. doi:10.1364/OE.21.019743

Seifert, N. A., Steber, A. L., Neill, J. L., Perez, C., Zaleski, D. P., Pate, B. H., & Lesarri, A. (2013). The interplay of hydrogen bonding and dispersion in phenol dimer and trimer: structures from broadband rotational spectroscopy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15(27), 11468-11477. doi:10.1039/c3cp51725j

Guirgis, G. A., Klaassen, J. J., Pate, B. H., Seifert, N. A., Darkhalil, I. D., Deodhar, B. S., . . . Durig, J. R. (2013). Microwave, infrared, and Raman spectra, structural parameters, vibrational assignments and theoretical calculations of 1,3-disilacyclopentane. JOURNAL OF MOLECULAR STRUCTURE, 1049, 400-408. doi:10.1016/j.molstruc.2013.06.042

Perez, C., Lobsiger, S., Seifert, N. A., Zaleski, D. P., Temelso, B., Shields, G. C., . . . Pate, B. H. (2013). Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer. CHEMICAL PHYSICS LETTERS, 571, 1-15. doi:10.1016/j.cplett.2013.04.014

Pate, B. H., Seifert, N. A., Guirgis, G. A., Deodhar, B. S., Klaassen, J. J., Darkhalil, I. D., . . . Durig, J. R. (2013). Microwave, infrared, and Raman spectra, structural parameters, vibrational assignments and theoretical calculations of 1,1,3,3-tetrafluoro-1,3-disilacyclopentane. CHEMICAL PHYSICS, 416, 33-42. doi:10.1016/j.chemphys.2013.03.002

Zaleski, D. P., Seifert, N. A., Steber, A. L., Muckle, M. T., Loomis, R. A., Corby, J. F., . . . Pate, B. H. (2013). DETECTION OF E-CYANOMETHANIMINE TOWARD SAGITTARIUS B2(N) IN THE GREEN BANK TELESCOPE PRIMOS SURVEY. ASTROPHYSICAL JOURNAL LETTERS, 765(1). doi:10.1088/2041-8205/765/1/L10

Loomis, R. A., Zaleski, D. P., Steber, A. L., Neill, J. L., Muckle, M. T., Harris, B. J., . . . Corby, J. F. (2013). THE DETECTION OF INTERSTELLAR ETHANIMINE (CH₃CHNH) FROM OBSERVATIONS TAKEN DURING THE GBT PRIMOS SURVEY. ASTROPHYSICAL JOURNAL LETTERS, 765(1). doi:10.1088/2041-8205/765/1/L9

Carroll, P. B., McGuire, B. A., Zaleski, D. P., Neill, J. L., Pate, B. H., & Weaver, S. L. W. (2013). The pure rotational spectrum of glycolaldehyde isotopologues observed in natural abundance. JOURNAL OF MOLECULAR SPECTROSCOPY, 284, 21-28. doi:10.1016/j.jms.2013.01.002

2012

Fleisher, A. J., Bird, R. G., Zaleski, D. P., Pate, B. H., & Pratt, D. W. (2013). High-Resolution Electronic Spectroscopy of the Doorway States to Intramolecular Charge Transfer. JOURNAL OF PHYSICAL CHEMISTRY B, 117(16), 4231-4240. doi:10.1021/jp3041296

Guirgis, G. A., Overby, J. S., Palmer, M. H., Peebles, R. A., Peebles, S. A., Elmuti, L. F., . . . Seifert, N. A. (2012). Molecular Structure of Methyldifluoroisocyanato Silane: A Combined Microwave Spectral and Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY A, 116(30), 7822-7829. doi:10.1021/jp302519h

Perez, C., Muckle, M. T., Zaleski, D. P., Seifert, N. A., Temelso, B., Shields, G. C., . . . Pate, B. H. (2012). Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy. SCIENCE, 336(6083), 897-901. doi:10.1126/science.1220574

Seifert, N. A., Guirgis, G. A., & Pate, B. H. (2012). The molecular structure of methyl(difluoro)silyl chloride as determined by broadband microwave spectroscopy. JOURNAL OF MOLECULAR STRUCTURE, 1023, 222-226. doi:10.1016/j.molstruc.2012.04.078

Bird, R. G., Vaquero-Vara, V., Zaleski, D. P., Pate, B. H., & Pratt, D. W. (2012). Chirped-pulsed FTMW spectra of valeric acid, 5-aminovaleric acid, and δ-valerolactam: A study of amino acid mimics in the gas phase. JOURNAL OF MOLECULAR SPECTROSCOPY, 280, 42-46. doi:10.1016/j.jms.2012.06.017

Neill, J. L., Muckle, M. T., Zaleski, D. P., Steber, A. L., Pate, B. H., Lattanzi, V., . . . Remijan, A. J. (2012). LABORATORY AND TENTATIVE INTERSTELLAR DETECTION OF TRANS-METHYL FORMATE USING THE PUBLICLY AVAILABLE GREEN BANK TELESCOPE PRIMOS SURVEY. ASTROPHYSICAL JOURNAL, 755(2). doi:10.1088/0004-637X/755/2/153

Zaleski, D. P., Neill, J. L., Muckle, M. T., Seifert, N. A., Carroll, P. B., Weaver, S. L. W., & Pate, B. H. (2012). A K_a-band chirped-pulse Fourier transform microwave spectrometer. JOURNAL OF MOLECULAR SPECTROSCOPY, 280, 68-76. doi:10.1016/j.jms.2012.07.014

Pate, B. H., & De Lucia, F. C. (2012). Broadband Molecular Rotational Spectroscopy Special Issue Introduction. JOURNAL OF MOLECULAR SPECTROSCOPY, 280, 1-2. doi:10.1016/j.jms.2012.08.003

Steber, A. L., Harris, B. J., Neill, J. L., & Pate, B. H. (2012). An arbitrary waveform generator based chirped pulse Fourier transform spectrometer operating from 260 to 295 GHz. JOURNAL OF MOLECULAR SPECTROSCOPY, 280, 3-10. doi:10.1016/j.jms.2012.07.015

2011

Daly, A. M., Douglass, K. O., Sarkozy, L. C., Neill, J. L., Muckle, M. T., Zaleski, D. P., . . . Kukolich, S. G. (2011). Microwave measurements of proton tunneling and structural parameters for the propiolic acid-formic acid dimer. JOURNAL OF CHEMICAL PHYSICS, 135(15). doi:10.1063/1.3643720

Pate, B. H. (2011). Taking the Pulse of Molecular Rotational Spectroscopy. SCIENCE, 333(6045), 947-948. doi:10.1126/science.1207994

Kisiel, Z., Lesarri, A., Neill, J. L., Muckle, M. T., & Pate, B. H. (2011). Structure and properties of the (HCl)₂H₂O cluster observed by chirped-pulse Fourier transform microwave spectroscopy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(31), 13912-13919. doi:10.1039/c1cp20841a

Twagirayezu, S., Wang, X., Perry, D. S., Neil, J. L., Muckle, M. T., Pate, B. H., & Xu, L. -H. (2011). IR and FTMW-IR Spectroscopy and Vibrational Relaxation Pathways in the CH Stretch Region of CH₃OH and CH₃OD. JOURNAL OF PHYSICAL CHEMISTRY A, 115(34), 9748-9763. doi:10.1021/jp202020u

Neill, J. L., Steber, A. L., Muckle, M. T., Zaleski, D. P., Lattanzi, V., Spezzano, S., . . . Pate, B. H. (2011). Spatial Distributions and Interstellar Reaction Processes. JOURNAL OF PHYSICAL CHEMISTRY A, 115(24), 6472-6480. doi:10.1021/jp200539b

Elmuti, L. F., Peebles, R. A., Peebles, S. A., Steber, A. L., Neill, J. L., & Pate, B. H. (2011). Observation of a double C-H•••π interaction in the CH₂ClF•••HCCH weakly bound complex. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(31), 14043-14049. doi:10.1039/c1cp20684b

Neill, J. L., Douglass, K. O., Pate, B. H., & Pratt, D. W. (2011). Next generation techniques in the high resolution spectroscopy of biologically relevant molecules. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(16), 7253-7262. doi:10.1039/c0cp01573c

Bird, R. G., Neill, J. L., Alstadt, V. J., Young, J. W., Pate, B. H., & Pratt, D. W. (2011). Ground State ¹⁴N Quadrupole Couplings in the Microwave Spectra of N,N′-Dimethylaniline and 4,4′-Dimethylaminobenzonitrile. JOURNAL OF PHYSICAL CHEMISTRY A, 115(34), 9392-9398. doi:10.1021/jp111075r

Bills, B. J., Elmuti, L. F., Sanders, A. J., Steber, A. L., Peebles, R. A., Peebles, S. A., . . . Pate, B. H. (2011). C-H•••O interaction and water tunneling in the CHClF₂-H₂O dimer. JOURNAL OF MOLECULAR SPECTROSCOPY, 268(1-2), 7-15. doi:10.1016/j.jms.2011.03.029

Neill, J. L., Shipman, S. T., Alvarez-Valtierra, L., Lesarri, A., Kisiel, Z., & Pate, B. H. (2011). Rotational spectroscopy of iodobenzene and iodobenzene-neon with a direct digital 2-8 GHz chirped-pulse Fourier transform microwave spectrometer. JOURNAL OF MOLECULAR SPECTROSCOPY, 269(1), 21-29. doi:10.1016/j.jms.2011.04.016

Shipman, S. T., Neill, J. L., Suenram, R. D., Muckle, M. T., & Pate, B. H. (2011). Structure Determination of Strawberry Aldehyde by Broadband Microwave Spectroscopy: Conformational Stabilization by Dispersive Interactions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2(5), 443-448. doi:10.1021/jz200031w

Pate, B. H., & De Lucia, F. C. (2011). Special issue of journal of molecular spectroscopy focusing on developments in broadband rotational spectroscopy. JOURNAL OF MOLECULAR SPECTROSCOPY, 269(1), 1. doi:10.1016/j.jms.2011.07.004

Steber, A. L., Neill, J. L., Zaleski, D. P., Pate, B. H., Lesarri, A., Bird, R. G., . . . Pratt, D. W. (2011). Structural studies of biomolecules in the gas phase by chirped-pulse Fourier transform microwave spectroscopy. FARADAY DISCUSSIONS, 150, 227-242. doi:10.1039/c1fd00008j

2010

Sexton, J. M., Elliott, A. A., Steber, A. L., Peebles, S. A., Peebles, R. A., Neill, J. L., . . . Pate, B. H. (2010). Characterization of C-H•••π interactions in the structure of the CHClF₂-HCCH weakly bound complex. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12(42), 14263-14270. doi:10.1039/c0cp00924e

Lesarri, A., Shipman, S. T., Neill, J. L., Brown, G. G., Suenram, R. D., Kang, L., . . . Pate, B. H. (2010). Interplay of Phenol and Isopropyl Isomerism in Propofol from Broadband Chirped-Pulse Microwave Spectroscopy. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(38), 13417-13424. doi:10.1021/ja104950w

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