Characterization of Acetonitrile Isotopologues as Vibrational Probes of Electrolytes

Dereka, Bogdan; Lewis, Nicholas H. C.; Keim, Jonathan H.; Snyder, Scott A.; Tokmakoff, Andrei

doi:10.1021/acs.jpcb.1c09572

Title: Characterization of Acetonitrile Isotopologues as Vibrational Probes of Electrolytes

Journal Article · Tue Dec 28 00:00:00 EST 2021 · Journal of Physical Chemistry. B

DOI:https://doi.org/10.1021/acs.jpcb.1c09572· OSTI ID:1837616

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^[1]; Keim, Jonathan H. ^[2];

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James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States, Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, United States, Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States, Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois 60637, United States
Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, United States

Acetonitrile has emerged as a solvent candidate for novel electrolyte formulations in metal-ion batteries and supercapacitors. It features a bright local C≡N stretch vibrational mode whose infrared (IR) signature is sensitive to battery-relevant cations (Li⁺, Mg²⁺, Zn²⁺, Ca²⁺) both in pure form and in the presence of water admixture across a full possible range of concentrations from the dilute to the superconcentrated regime. Stationary and time-resolved IR spectroscopy thus emerges as a natural tool to study site-specific intermolecular interactions from the solvent perspective without introducing an extrinsic probe that perturbs solution morphology and may not represent the intrinsic dynamics in these electrolytes. The metal-coordinated acetonitrile, water-separated metal–acetonitrile pair, and free solvent each have a distinct vibrational signature that allows their unambiguous differentiation. The IR band frequency of the metal-coordinated acetonitrile depends on the ion charge density. To study the ion transport dynamics, it is necessary to differentiate energy-transfer processes from structural interconversions in these electrolytes. Isotope labeling the solvent is a necessary prerequisite to separate these processes. We discuss the design principles and choice of the CD₃¹³CN label and characterize its vibrational spectroscopy in these electrolytes. The Fermi resonance between ¹³C≡N and C–D stretches complicates the spectral response but does not prevent its effective utilization. Time-resolved two-dimensional (2D) IR spectroscopy can be performed on a mixture of acetonitrile isotopologues and much can be learned about the structural dynamics of various species in these formulations.

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Research Organization:: University of Chicago, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0014305; DEAC0206CH11357; AC02-06CH11357

OSTI ID:: 1837616

Alternate ID(s):: OSTI ID: 1839909

Journal Information:: Journal of Physical Chemistry. B, Journal Name: Journal of Physical Chemistry. B Vol. 126 Journal Issue: 1; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (92)

Rubbery solid electrolytes with dominant cationic transport and high ambient conductivity Angell, C. A.; Liu, C.; Sanchez, E. Nature, Vol. 362, Issue 6416 https://doi.org/10.1038/362137a0	journal	March 1993
Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water Bakker, H. J.; Skinner, J. L. Chemical Reviews, Vol. 110, Issue 3 https://doi.org/10.1021/cr9001879	journal	March 2010
Covalently Bound Azido Groups Are Very Specific Water Sensors, Even in Hydrogen-Bonding Environments Wolfshorndl, Marta P.; Baskin, Rachel; Dhawan, Ishita The Journal of Physical Chemistry B, Vol. 116, Issue 3 https://doi.org/10.1021/jp209899m	journal	January 2012
Polarity, hydrogen bonding, and structure of mixtures of water and cyanomethane Marcus, Yizhak; Migron, Yoelit The Journal of Physical Chemistry, Vol. 95, Issue 1 https://doi.org/10.1021/j100154a070	journal	January 1991
Understanding the Microscopic Structure of a “Water-in-Salt” Lithium Ion Battery Electrolyte Probed with Ultrafast IR Spectroscopy Zhang, Miaomiao; Hao, Hongxing; Zhou, Dexia The Journal of Physical Chemistry C, Vol. 124, Issue 16 https://doi.org/10.1021/acs.jpcc.0c00937	journal	March 2020
Effect of Solvation Shell Structure and Composition on Ion Pair Formation: The Case Study of LiTDI in Organic Carbonates Rushing, Jeramie C.; Leonik, Fedra M.; Kuroda, Daniel G. The Journal of Physical Chemistry C, Vol. 123, Issue 41 https://doi.org/10.1021/acs.jpcc.9b07469	journal	September 2019
Measuring Electric Fields and Noncovalent Interactions Using the Vibrational Stark Effect Fried, Stephen D.; Boxer, Steven G. Accounts of Chemical Research, Vol. 48, Issue 4 https://doi.org/10.1021/ar500464j	journal	March 2015
Measuring Electric Fields in Biological Matter Using the Vibrational Stark Effect of Nitrile Probes Slocum, Joshua D.; Webb, Lauren J. Annual Review of Physical Chemistry, Vol. 69, Issue 1 https://doi.org/10.1146/annurev-physchem-052516-045011	journal	April 2018
Structural Rearrangements in Water Viewed Through Two-Dimensional Infrared Spectroscopy Roberts, Sean T.; Ramasesha, Krupa; Tokmakoff, Andrei Accounts of Chemical Research, Vol. 42, Issue 9 https://doi.org/10.1021/ar900088g	journal	September 2009
Charge Transfer Models of Zinc and Magnesium in Water Soniat, Marielle; Hartman, Lisa; Rick, Steven W. Journal of Chemical Theory and Computation, Vol. 11, Issue 4 https://doi.org/10.1021/ct501173n	journal	March 2015
Modulating Accidental Fermi Resonance: What a Difference a Neutron Makes Lipkin, Jacob S.; Song, Rui; Fenlon, Edward E. The Journal of Physical Chemistry Letters, Vol. 2, Issue 14 https://doi.org/10.1021/jz2006447	journal	June 2011
Dynamics in a Room-Temperature Ionic Liquid from the Cation Perspective: 2D IR Vibrational Echo Spectroscopy Yamada, Steven A.; Bailey, Heather E.; Tamimi, Amr Journal of the American Chemical Society, Vol. 139, Issue 6 https://doi.org/10.1021/jacs.6b12011	journal	February 2017
Study of Fermi resonance by the method of solvent variation Bertran, J. Fernández; Ballester, L.; Dobrihalova, L. Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 24, Issue 11 https://doi.org/10.1016/0584-8539(68)80232-6	journal	November 1968
Azido-derivatized compounds as IR probes of local electrostatic environment: Theoretical studies Choi, Jun-Ho; Oh, Kwang-Im; Cho, Minhaeng The Journal of Chemical Physics, Vol. 129, Issue 17 https://doi.org/10.1063/1.3001915	journal	November 2008
Ultrafast fluxional exchange dynamics in electrolyte solvation sheath of lithium ion battery Lee, Kyung-Koo; Park, Kwanghee; Lee, Hochan Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14658	journal	March 2017
Solvation Structure and Dynamics of the Lithium Ion in Organic Carbonate-Based Electrolytes: A Time-Dependent Infrared Spectroscopy Study Fulfer, Kristen D.; Kuroda, Daniel G. The Journal of Physical Chemistry C, Vol. 120, Issue 42 https://doi.org/10.1021/acs.jpcc.6b08607	journal	October 2016
Phase Diagram, Conductivity, and Glass Transition of LiTFSI–H ₂ O Binary Electrolytes Ding, Michael S.; Xu, Kang The Journal of Physical Chemistry C, Vol. 122, Issue 29 https://doi.org/10.1021/acs.jpcc.8b05193	journal	June 2018
Solvent-induced frequency shifts in the infrared spectrum of acetonitrile in organic solvents Fawcett, W. Ronald; Liu, Guojun; Kessler, Tori E. The Journal of Physical Chemistry, Vol. 97, Issue 37, p. 9293-9298 https://doi.org/10.1021/j100139a007	journal	September 1993
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries Alecu, I. M.; Zheng, Jingjing; Zhao, Yan Journal of Chemical Theory and Computation, Vol. 6, Issue 9 https://doi.org/10.1021/ct100326h	journal	August 2010
A stable graphite electrode in superconcentrated LiTFSI-DME/DOL electrolyte and its application in lithium-sulfur full battery Zeng, Pan; Han, Yamiao; Duan, Xiaobo Materials Research Bulletin, Vol. 95 https://doi.org/10.1016/j.materresbull.2017.07.018	journal	November 2017
Effect of isotope substitution on the Fermi resonance and vibrational lifetime of unnatural amino acids modified with IR probe: A 2D-IR and pump-probe study of 4-azido-L-phenyl alanine Park, Jun Young; Mondal, Saptarsi; Kwon, Hyeok-Jun The Journal of Chemical Physics, Vol. 153, Issue 16 https://doi.org/10.1063/5.0025289	journal	October 2020
Site-Specific Spectroscopic Reporters of the Local Electric Field, Hydration, Structure, and Dynamics of Biomolecules Waegele, Matthias M.; Culik, Robert M.; Gai, Feng The Journal of Physical Chemistry Letters, Vol. 2, Issue 20 https://doi.org/10.1021/jz201161b	journal	September 2011
Free Volume Element Sizes and Dynamics in Polystyrene and Poly(methyl methacrylate) Measured with Ultrafast Infrared Spectroscopy Fica-Contreras, Sebastian M.; Hoffman, David J.; Pan, Junkun Journal of the American Chemical Society, Vol. 143, Issue 9 https://doi.org/10.1021/jacs.0c13397	journal	February 2021
Water or Anion? Uncovering the Zn ²⁺ Solvation Environment in Mixed Zn(TFSI) ₂ and LiTFSI Water-in-Salt Electrolytes Zhang, Yong; Wan, Gang; Lewis, Nicholas H. C. ACS Energy Letters, Vol. 6, Issue 10 https://doi.org/10.1021/acsenergylett.1c01624	journal	September 2021
Dynamics of Water Molecules and Ions in Concentrated Lithium Chloride Solutions Probed with Ultrafast 2D IR Spectroscopy Yuan, Rongfeng; Fayer, Michael D. The Journal of Physical Chemistry B, Vol. 123, Issue 35 https://doi.org/10.1021/acs.jpcb.9b06038	journal	August 2019
Sustainability of artisanal mining of cobalt in DR Congo Banza Lubaba Nkulu, Célestin; Casas, Lidia; Haufroid, Vincent Nature Sustainability, Vol. 1, Issue 9 https://doi.org/10.1038/s41893-018-0139-4	journal	September 2018
A 63 m Superconcentrated Aqueous Electrolyte for High-Energy Li-Ion Batteries Chen, Long; Zhang, Jiaxun; Li, Qin ACS Energy Letters, Vol. 5, Issue 3 https://doi.org/10.1021/acsenergylett.0c00348	journal	February 2020
Unusual Stability of Acetonitrile-Based Superconcentrated Electrolytes for Fast-Charging Lithium-Ion Batteries Yamada, Yuki; Furukawa, Keizo; Sodeyama, Keitaro Journal of the American Chemical Society, Vol. 136, Issue 13, p. 5039-5046 https://doi.org/10.1021/ja412807w	journal	March 2014
Raman spectroscopic studies on the dynamic and equilibrium processes in binary mixtures containing methanol and acetonitrile Besnard, Marcel; Isabel Cabaço, M.; Strehle, Frank Chemical Physics, Vol. 163, Issue 1 https://doi.org/10.1016/0301-0104(92)80145-L	journal	June 1992
Direct Visualization of Excited-State Symmetry Breaking Using Ultrafast Time-Resolved Infrared Spectroscopy Dereka, Bogdan; Rosspeintner, Arnulf; Li, Zhiquan Journal of the American Chemical Society, Vol. 138, Issue 13 https://doi.org/10.1021/jacs.6b01362	journal	March 2016
How to Reduce the Cointercalation of Propylene Carbonate in Li x ZrS2 and Other Layered Compounds McKinnon, W. R.; Dahn, J. R. Journal of The Electrochemical Society, Vol. 132, Issue 2 https://doi.org/10.1149/1.2113839	journal	February 1985
Large-amplitude transfer motion of hydrated excess protons mapped by ultrafast 2D IR spectroscopy Dahms, Fabian; Fingerhut, Benjamin P.; Nibbering, Erik T. J. Science, Vol. 357, Issue 6350 https://doi.org/10.1126/science.aan5144	journal	July 2017
The Solvation of Acetonitrile Reimers, Jeffrey R.; Hall, Lachlan E. Journal of the American Chemical Society, Vol. 121, Issue 15 https://doi.org/10.1021/ja983878n	journal	April 1999
"Water-in-salt" electrolyte enables high-voltage aqueous lithium-ion chemistries Suo, L.; Borodin, O.; Gao, T. Science, Vol. 350, Issue 6263 https://doi.org/10.1126/science.aab1595	journal	November 2015
Water Dynamics in Salt Solutions Studied with Ultrafast Two-Dimensional Infrared (2D IR) Vibrational Echo Spectroscopy Fayer, Michael D.; Moilanen, David E.; Wong, Daryl Accounts of Chemical Research, Vol. 42, Issue 9 https://doi.org/10.1021/ar900043h	journal	September 2009
Long cycle life and dendrite-free lithium morphology in anode-free lithium pouch cells enabled by a dual-salt liquid electrolyte Weber, Rochelle; Genovese, Matthew; Louli, A. J. Nature Energy, Vol. 4, Issue 8 https://doi.org/10.1038/s41560-019-0428-9	journal	July 2019
Safe and high-rate supercapacitors based on an “acetonitrile/water in salt” hybrid electrolyte Dou, Qingyun; Lei, Shulai; Wang, Da-Wei Energy & Environmental Science, Vol. 11, Issue 11 https://doi.org/10.1039/C8EE01040D	journal	January 2018
Electric Fields at Metal–Surfactant Interfaces: A Combined Vibrational Spectroscopy and Capacitance Study Sarkar, Sohini; Maitra, Anwesha; Banerjee, Soumyodip The Journal of Physical Chemistry B, Vol. 124, Issue 7 https://doi.org/10.1021/acs.jpcb.0c00560	journal	January 2020
Two-dimensional infrared study of 3-azidopyridine as a potential spectroscopic reporter of protonation state Nydegger, Michael W.; Dutta, Samrat; Cheatum, Christopher M. The Journal of Chemical Physics, Vol. 133, Issue 13 https://doi.org/10.1063/1.3483688	journal	October 2010
Rational Design of an Acetylenic Infrared Probe with Enhanced Dipole Strength and Increased Vibrational Lifetime Kossowska, Dorota; Park, Kwanghee; Park, Jun Young The Journal of Physical Chemistry B, Vol. 123, Issue 29 https://doi.org/10.1021/acs.jpcb.9b04925	journal	May 2019
Vibrational Energy Transfer: An Angstrom Molecular Ruler in Studies of Ion Pairing and Clustering in Aqueous Solutions Chen, Hailong; Bian, Hongtao; Li, Jiebo The Journal of Physical Chemistry B, Vol. 119, Issue 12 https://doi.org/10.1021/jp512320a	journal	February 2015
On the secondary structure of some acetonitrile vibrational bands Loewenschuss, A.; Yellin, N. Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 31, Issue 3 https://doi.org/10.1016/0584-8539(75)80012-2	journal	March 1975
Azido Homoalanine is a Useful Infrared Probe for Monitoring Local Electrostatistics and Side-Chain Solvation in Proteins Choi, Jun-Ho; Raleigh, Daniel; Cho, Minhaeng The Journal of Physical Chemistry Letters, Vol. 2, Issue 17 https://doi.org/10.1021/jz200980g	journal	August 2011
Extraordinary Slowing of Structural Dynamics in Thin Films of a Room Temperature Ionic Liquid Nishida, Jun; Breen, John P.; Wu, Boning ACS Central Science, Vol. 4, Issue 8 https://doi.org/10.1021/acscentsci.8b00353	journal	July 2018
Broadband 2D IR spectroscopy reveals dominant asymmetric H5O2+ proton hydration structures in acid solutions Fournier, Joseph A.; Carpenter, William B.; Lewis, Nicholas H. C. Nature Chemistry, Vol. 10, Issue 9 https://doi.org/10.1038/s41557-018-0091-y	journal	July 2018
Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water Fecko, C. J. Science, Vol. 301, Issue 5640 https://doi.org/10.1126/science.1087251	journal	September 2003
Solvent and pressure‐induced perturbations of the vibrational potential surface of acetonitrile Ben‐Amotz, Dor; Lee, Meng‐Rong; Cho, Seung Y. The Journal of Chemical Physics, Vol. 96, Issue 12 https://doi.org/10.1063/1.462285	journal	June 1992
New Concepts in Electrolytes Li, Matthew; Wang, Chunsheng; Chen, Zhongwei Chemical Reviews https://doi.org/10.1021/acs.chemrev.9b00531	journal	February 2020
Electrolytes and Interphases in Li-Ion Batteries and Beyond Xu, Kang Chemical Reviews, Vol. 114, Issue 23 https://doi.org/10.1021/cr500003w	journal	October 2014
Bisalt ether electrolytes: a pathway towards lithium metal batteries with Ni-rich cathodes Alvarado, Judith; Schroeder, Marshall A.; Pollard, Travis P. Energy & Environmental Science, Vol. 12, Issue 2 https://doi.org/10.1039/C8EE02601G	journal	January 2019
Crossover from hydrogen to chemical bonding Dereka, Bogdan; Yu, Qi; Lewis, Nicholas H. C. Science, Vol. 371, Issue 6525 https://doi.org/10.1126/science.abe1951	journal	January 2021
Isonitrile as an Ultrasensitive Infrared Reporter of Hydrogen-Bonding Structure and Dynamics Maj, Michał; Ahn, Changwoo; Błasiak, Bartosz The Journal of Physical Chemistry B, Vol. 120, Issue 39 https://doi.org/10.1021/acs.jpcb.6b04319	journal	August 2016
Ultrafast Vibrational Dynamics of Hydrogen Bonds in the Condensed Phase Nibbering, Erik T. J.; Elsaesser, Thomas Chemical Reviews, Vol. 104, Issue 4 https://doi.org/10.1021/cr020694p	journal	April 2004
The solvatochromic comparison method. 2. The .alpha.-scale of solvent hydrogen-bond donor (HBD) acidities Taft, R. W.; Kamlet, Mortimer J. Journal of the American Chemical Society, Vol. 98, Issue 10 https://doi.org/10.1021/ja00426a036	journal	May 1976
Achievements, Challenges, and Prospects of Calcium Batteries Arroyo-de Dompablo, M. Elena; Ponrouch, Alexandre; Johansson, Patrik Chemical Reviews https://doi.org/10.1021/acs.chemrev.9b00339	journal	October 2019
More on the secondary structure of some vibrational bands of acetonitrile Loewenschuss, A.; Yellin, N. Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 32, Issue 5 https://doi.org/10.1016/0584-8539(76)80318-2	journal	January 1976
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction Baiz, Carlos R.; Błasiak, Bartosz; Bredenbeck, Jens Chemical Reviews, Vol. 120, Issue 15 https://doi.org/10.1021/acs.chemrev.9b00813	journal	June 2020
Elucidating the mechanism behind the infrared spectral features and dynamics observed in the carbonyl stretch region of organic carbonates interacting with lithium ions Fulfer, Kristen D.; Galle Kankanamge, Susith R.; Chen, Xiaobing The Journal of Chemical Physics, Vol. 154, Issue 23 https://doi.org/10.1063/5.0049742	journal	June 2021
Using Nitrile-Derivatized Amino Acids as Infrared Probes of Local Environment Getahun, Zelleka; Huang, Cheng-Yen; Wang, Ting Journal of the American Chemical Society, Vol. 125, Issue 2 https://doi.org/10.1021/ja0285262	journal	January 2003
Infrared Probes Based on Nitrile-Derivatized Prolines: Thermal Insulation Effect and Enhanced Dynamic Range Park, Kwang-Hee; Jeon, Jonggu; Park, Yumi The Journal of Physical Chemistry Letters, Vol. 4, Issue 13 https://doi.org/10.1021/jz400954r	journal	June 2013
High-Voltage Lithium-Metal Batteries Enabled by Localized High-Concentration Electrolytes Chen, Shuru; Zheng, Jianming; Mei, Donghai Advanced Materials, Vol. 30, Issue 21 https://doi.org/10.1002/adma.201706102	journal	March 2018
Ion–Molecule Complex Dissociation and Formation Dynamics in LiCl Aqueous Solutions from 2D IR Spectroscopy Yuan, Rongfeng; Yan, Chang; Fayer, Michael The Journal of Physical Chemistry B, Vol. 122, Issue 46 https://doi.org/10.1021/acs.jpcb.8b08743	journal	October 2018
Dynamics of Water Interacting with Interfaces, Molecules, and Ions. Fayer, Michael D. Accounts of Chemical Research, Vol. 45, Issue 1 https://doi.org/10.1021/ar2000088	journal	March 2011
Structure and Dynamics of the Lithium-Ion Solvation Shell in Ureas Chen, Xiaobing; Fulfer, Kristen D.; Woodard, Kaylee T. The Journal of Physical Chemistry B, Vol. 123, Issue 46 https://doi.org/10.1021/acs.jpcb.9b07623	journal	October 2019
Ten years left to redesign lithium-ion batteries Turcheniuk, Kostiantyn; Bondarev, Dmitry; Singhal, Vinod Nature, Vol. 559, Issue 7715 https://doi.org/10.1038/d41586-018-05752-3	journal	July 2018
Fermi resonance as a means to determine the hydrogen-bonding status of two infrared probes Rodgers, Jeffrey M.; Abaskharon, Rachel M.; Ding, Bei Physical Chemistry Chemical Physics, Vol. 19, Issue 24 https://doi.org/10.1039/C7CP02442H	journal	January 2017
Uncharted Waters: Super-Concentrated Electrolytes Borodin, Oleg; Self, Julian; Persson, Kristin A. Joule, Vol. 4, Issue 1 https://doi.org/10.1016/j.joule.2019.12.007	journal	January 2020
Infrared Spectra of Acetonitrile and Acetonitrile‐ d 3 Pace, E. L.; Noe, Lewis J. The Journal of Chemical Physics, Vol. 49, Issue 12 https://doi.org/10.1063/1.1670050	journal	December 1968
Solvation Structure of Li ⁺ in Concentrated Acetonitrile and N , N -Dimethylformamide Solutions Studied by Neutron Diffraction with ⁶ Li/ ⁷ Li Isotopic Substitution Methods Kameda, Yasuo; Saito, Shu; Saji, Aoi The Journal of Physical Chemistry B, Vol. 124, Issue 46 https://doi.org/10.1021/acs.jpcb.0c08021	journal	November 2020
Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes Borodin, Oleg; Suo, Liumin; Gobet, Mallory ACS Nano, Vol. 11, Issue 10 https://doi.org/10.1021/acsnano.7b05664	journal	October 2017
Revealing the Solvation Structure and Dynamics of Carbonate Electrolytes in Lithium-Ion Batteries by Two-Dimensional Infrared Spectrum Modeling Liang, Chungwen; Kwak, Kyungwon; Cho, Minhaeng The Journal of Physical Chemistry Letters, Vol. 8, Issue 23 https://doi.org/10.1021/acs.jpclett.7b02623	journal	November 2017
Electrochemical Energy Storage for Green Grid Yang, Zhenguo; Zhang, Jianlu; Kintner-Meyer, Michael C. W. Chemical Reviews, Vol. 111, Issue 5, p. 3577-3613 https://doi.org/10.1021/cr100290v	journal	May 2011
On the Relevance of Reporting Water Content in Highly Concentrated Electrolytes: The LiTFSI-Acetonitrile Case Généreux, Simon; Gariépy, Valérie; Rochefort, Dominic Journal of The Electrochemical Society, Vol. 167, Issue 12 https://doi.org/10.1149/1945-7111/abb34c	journal	January 2020
Decomposition of Vibrational Shifts of Nitriles into Electrostatic and Hydrogen-Bonding Effects Fafarman, Aaron T.; Sigala, Paul A.; Herschlag, Daniel Journal of the American Chemical Society, Vol. 132, Issue 37 https://doi.org/10.1021/ja104573b	journal	September 2010
Active Materials for Aqueous Zinc Ion Batteries: Synthesis, Crystal Structure, Morphology, and Electrochemistry Jia, Xiaoxiao; Liu, Chaofeng; Neale, Zachary G. Chemical Reviews, Vol. 120, Issue 15 https://doi.org/10.1021/acs.chemrev.9b00628	journal	July 2020
Sustainable minerals and metals for a low-carbon future Sovacool, Benjamin K.; Ali, Saleem H.; Bazilian, Morgan Science, Vol. 367, Issue 6473 https://doi.org/10.1126/science.aaz6003	journal	January 2020
Taming the Cationic Beast: Novel Developments in the Synthesis and Application of Weakly Coordinating Anions Riddlestone, Ian M.; Kraft, Anne; Schaefer, Julia Angewandte Chemie International Edition, Vol. 57, Issue 43 https://doi.org/10.1002/anie.201710782	journal	September 2018
On the secondary structure of some vibrational bands of acetonitrile Fini, Giancarlo; Mirone, Paolo Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 32, Issue 2 https://doi.org/10.1016/0584-8539(76)80098-0	journal	January 1976
Long Vibrational Lifetime R-Selenocyanate Probes for Ultrafast Infrared Spectroscopy: Properties and Synthesis Fica-Contreras, Sebastian M.; Daniels, Robert; Yassin, Omer The Journal of Physical Chemistry B, Vol. 125, Issue 31 https://doi.org/10.1021/acs.jpcb.1c04939	journal	August 2021
Effect of ion–molecule interaction on fermi-resonance in acetonitrile studied by ultrafast vibrational spectroscopy Kwon, YoungAh; Lee, Chiho; Park, Sungnam Chemical Physics, Vol. 445 https://doi.org/10.1016/j.chemphys.2014.10.017	journal	December 2014
Ion−Solvent Interactions in Acetonitrile Solutions of Lithium, Sodium, and Tetraethylammonium Perchlorate Using Attenuated Total Reflectance FTIR Spectroscopy Loring, John S.; Fawcett, W. Ronald The Journal of Physical Chemistry A, Vol. 103, Issue 19 https://doi.org/10.1021/jp984606+	journal	April 1999
Extension of the millimeter- and submillimeter-wave spectral databases of deuterated methyl cyanides (CH ₂ DCN and CHD ₂ CN) Nguyen, L.; Walters, A.; Margulès, L. Astronomy & Astrophysics, Vol. 553 https://doi.org/10.1051/0004-6361/201220088	journal	May 2013
Quest for Nonaqueous Multivalent Secondary Batteries: Magnesium and Beyond Muldoon, John; Bucur, Claudiu B.; Gregory, Thomas Chemical Reviews, Vol. 114, Issue 23 https://doi.org/10.1021/cr500049y	journal	October 2014
Interfacial Lewis Acid–Base Adduct Formation Probed by Vibrational Spectroscopy Patrow, Joel G.; Wang, Yi; Dawlaty, Jahan M. The Journal of Physical Chemistry Letters, Vol. 9, Issue 13 https://doi.org/10.1021/acs.jpclett.8b00470	journal	June 2018
Two-dimensional vibrational spectroscopy of the amide I band of crystalline acetanilide: Fermi resonance, conformational substates, or vibrational self-trapping? Edler, J.; Hamm, P. The Journal of Chemical Physics, Vol. 119, Issue 5 https://doi.org/10.1063/1.1586694	journal	July 2003
Signatures of Ion Pairing and Aggregation in the Vibrational Spectroscopy of Super-Concentrated Aqueous Lithium Bistriflimide Solutions Lewis, Nicholas H. C.; Zhang, Yong; Dereka, Bogdan The Journal of Physical Chemistry C, Vol. 124, Issue 6 https://doi.org/10.1021/acs.jpcc.9b10477	journal	January 2020
Vibrational solvatochromism and electrochromism of infrared probe molecules containing C≡O, C≡N, C=O, or C−F vibrational chromophore Choi, Jun-Ho; Cho, Minhaeng The Journal of Chemical Physics, Vol. 134, Issue 15 https://doi.org/10.1063/1.3580776	journal	April 2011
Highly reversible zinc metal anode for aqueous batteries Wang, Fei; Borodin, Oleg; Gao, Tao Nature Materials, Vol. 17, Issue 6 https://doi.org/10.1038/s41563-018-0063-z	journal	April 2018
Vibrational Probe of Aqueous Electrolytes: The Field Is Not Enough Lewis, Nicholas H. C.; Iscen, Aysenur; Felts, Alanna The Journal of Physical Chemistry B, Vol. 124, Issue 32 https://doi.org/10.1021/acs.jpcb.0c05510	journal	July 2020
Extended timescale 2D IR probes of proteins: p-cyanoselenophenylalanine Ramos, S.; Scott, K. J.; Horness, R. E. Physical Chemistry Chemical Physics, Vol. 19, Issue 15 https://doi.org/10.1039/C7CP00403F	journal	January 2017
Molecular motions of acetonitrile molecules in the solvation shell of lithium ions Chen, Xiaobing; Kuroda, Daniel G. The Journal of Chemical Physics, Vol. 153, Issue 16 https://doi.org/10.1063/5.0024486	journal	October 2020
Electrolyte Solvation and Ionic Association III. Acetonitrile-Lithium Salt Mixtures–Transport Properties Seo, Daniel M.; Borodin, Oleg; Balogh, Daniel Journal of The Electrochemical Society, Vol. 160, Issue 8 https://doi.org/10.1149/2.018308jes	journal	January 2013

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Electrolytes

Title: Characterization of Acetonitrile Isotopologues as Vibrational Probes of Electrolytes

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