☆ 4.8 Article

Ultraviolet Photoionization Efficiency of the Vaporized Ionic Liquid 1-Butyl-3-methylimidazolium Tricyanomethanide: Direct Detection of the Intact Ion Pair

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)

Journal

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

Volume 3, Issue 19, Pages 2910-2914

Publisher

AMER CHEMICAL SOC

DOI: 10.1021/jz301242w

Keywords

-

Categories

Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Atomic, Molecular & Chemical

Funding

U.S. Air Force Office of Scientific Research [FA9300-06-C-0023, FA9550-10-1-0163]
Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231]

Ask authors/readers for more resources

Protocol

Community support

Reagent

Community support

Abstract

We present the first direct measurement of a neutral, intact ion pair photoionization efficiency (PIE) curve for a vaporized ionic liquid, 1-butyl-3-methylimidazolium tricyanomethanide, using tunable vacuum ultraviolet (VUV) photoionization time-of-flight mass spectrometry (PI-TOFMS). The ionization potential (IP) for the ion pair is experimentally determined to be 6.6 +/- 0.5 eV, which matches reasonably well with the adiabatic IP of 7.3 +/- 0.2 eV calculated at the M06/6-31+G(d,p) level of theory. The lifetime to dissociation of the cation-radical complex formed upon ionization of the ion pair is highly dependent upon entropic contributions. Thermal gravimetric analyses (TGA) determined the enthalpy of vaporization to be Delta H-vap(298 K) = 143.5 +/- 6.2 kJ/mol and that vaporization of BMIM+TCM- as ion pairs is the dominant mechanism for mass loss under the experimental conditions for VUV PI-TOFMS (T = 433 K).

Authors

I am an author on this paper

Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.8

Not enough ratings

Secondary Ratings

Novelty

-

Significance

-

Scientific rigor

-

Rate this paper

Recommended

Article Chemistry, Physical

High-pressure crystal polymorphs in 1-butyl-3-methylimidazolium perfluorobutanesulfonate

Yoshihiro Koyama, Seiya Shimono, Hiroaki Kishimura, Takahiro Takekiyo, Yukihiro Yoshimura, Hiroshi Abe, Kiyoto Matsuishi

Summary: The high-pressure crystal polymorph of a fluorinated ionic liquid was determined through X-ray diffraction and Raman spectroscopy, revealing irreversible changes in crystal structure upon compression and decompression. Conformational variance/invariance of the ions in the Raman spectra corresponded to the high-pressure crystal polymorph, indicating a switch in conformational variance at a specific pressure point leading to a change in crystal system. The high-pressure crystal polymorph was shown to be entirely different from the low-temperature crystal polymorph.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Add to Collection

Article Energy & Fuels

Theoretical and Experimental Studies of 1-Butyl-3-methylimidazolium Methanesulfonate Ionic Liquid

Sami-ullah Rather, Hisham S. Bamufleh, Hesham Alhumade, Usman Saeed, Aqeel Ahmad Taimoor, Aliyu Adebayo Sulaimon, Walid M. Alalayah, Azmi Mohd Shariff

Summary: The high levels of anthropogenic CO2 in the atmosphere causing global warming and erratic weather conditions need urgent attention. An ionic liquid, [C(4)mim][CH3SO3], was chosen for CO2 capture due to its unique characteristics. The COSMO-RS model was used to study the interaction between the IL and CO2. The study provides a detailed overview of the theoretical and experimental aspects of IL's CO2 capture.

INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2023)

Add to Collection

Article Chemistry, Physical

Transport numbers in the basic 1-butyl-3-methylimidazolium chloroaluminate ionic liquid

V. A. Elterman, P. Yu Shevelin, L. A. Yolshina, E. G. Vovkotrub, A. Borozdin

Summary: The transport numbers of [BMIm](+) cation in the ionic liquid are independent of the mole fraction of aluminium chloride, with internal and external transport numbers being 0.70 +/- 0.01 and 1.02 +/- 0.04, respectively. The mobility of AlCl4- and Cl- in the ionic liquid was found to be similar, and the cation size did not affect the transport numbers in the chloroaluminate ionic liquids.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Add to Collection

Article Chemistry, Physical

Evaporation thermodynamics of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid

A. M. Dunaev, V. B. Motalov, L. S. Kudin, Yu. A. Zhabanov, V. V. Aleksandriiskii, Dmitrii Govorov

Summary: The thermodynamic properties of evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF(4)) ionic liquid were investigated using Knudsen effusion mass spectrometry. The results showed that at non-equilibrium Langmuir conditions, the IL evaporates primarily in the form of neutral ion pairs (NIPs), while under equilibrium conditions, decomposition products dominate the vapor. The main decomposition products were found to be substituted imidazole-2-ylidene and hydrofluoric acid. The vaporization enthalpy and formation enthalpy of NIPs were determined, and it was demonstrated that the system is characterized by partial equilibrium.

JOURNAL OF MOLECULAR LIQUIDS (2023)

Add to Collection

Article Polymer Science

Strong and tough polyacrylamide/Laponite nanocomposite hydrogels modified with 1-butyl-3-methylimidazolium chloride salt

Yuhui Xie, Xue Lv, Xinyi Sui, Song Tian, Li'an Jiang, Shulin Sun

Summary: Physicochemical double cross-linking nanocomposite hydrogels were prepared in this study. The addition of ionic liquid prevented Laponite from forming a high thixotropic gel in water. The dispersed Laponite nanosheets acted as dynamic physical crosslinking sites and formed a strong and tough hydrogel network structure when combined with the chemical crosslinking center of MBA in the polymer chain segments. The PAM/Laponite/IL nanocomposite hydrogel showed excellent tensile strength, high tensile strain, and remarkable toughness, making it a potential load-bearing material.

POLYMER (2023)

Add to Collection

Article Chemistry, Physical

Investigating the effect of 1-Butyl-3-methylimidazolium bromide and 1-Butyl-3-methylimidazolium methyl sulfate ionic liquids on structure and function of Chloroproxidase by molecular dynamics simulation

S. Maryam Ghorbani, Mohammad Reza Housaindokht, Mohammad Reza Bozorgmehr

Summary: The study showed that ionic liquids, specifically [BMIM][Br] and [BMIM][MeSO4], have different effects on the structure and function of Chloroperoxidase (CPO) depending on their concentrations. Low concentrations maintain enzyme activity while high concentrations alter enzyme structure and reduce flexibility of residues. The influence of [BMIM][MeSO4] on CPO structure is noted to be greater due to the unique structure of its corresponding anion group. Additionally, the number of cavities in the enzyme structure explains the activation and deactivation of the enzyme at different ionic liquid concentrations.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Add to Collection

Article Chemistry, Physical

Physicochemical characteristics of 1-ethyl- and 1-butyl-3-methylimidazolium chloroaluminate ionic liquids

V. A. Elterman, P. Yu. Shevelin, L. A. Yolshina, A. V. Borozdin

Summary: The density, viscosity, and specific conductivity of AlCl3-[EMIm]Cl and AlCl3-[BMIm]Cl ILs were measured, and the molar concentrations of ions were calculated. The study confirmed the additivity of densities and molar volumes and identified the main factors affecting specific conductivity in acidic ILs.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Add to Collection

Article Biochemistry & Molecular Biology

New Insights into the Thermal Stability of 1-Butyl-3-methylimidazolium-Based Ionic Liquids

Artyom Belesov, Natalya Shkaeva, Mark S. Popov, Tatyana E. Skrebets, Anna Faleva, Nikolay Ul'yanovskii, Dmitry S. Kosyakov

Summary: This study comprehensively characterized the degradation products of lignocellulosic biomass solvents using various analytical techniques. It identified a range of volatile and non-volatile products and found that the accumulation of these products affects the physicochemical properties and thermal stability of the solvents, leading to a decrease in decomposition temperature, changes in thermogravimetric curve shape, and the formation of carbon residue during pyrolysis.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)

Add to Collection

Article Thermodynamics

Thermodynamics of 1-ethyl-3-methylimidazolium and 1-butyl-3-methylimidazolium chlorides

D. A. Kalinyuk, A. I. Druzhinina, L. A. Tiflova, O. V. Dorofeeva, Y. V. Golubev, D. Yu Iliyn, K. D. Semavin, N. S. Chilingarov

Summary: A comprehensive thermodynamic study was conducted on two ionic liquids, EmimCl and BmimCl, using experimental and calculation methods. Various thermodynamic functions, such as standard entropy, heat content, and Gibbs energy, were calculated for both crystalline and liquid phases of EmimCl and BmimCl. Melting parameters and standard enthalpies of dissolution were measured, and standard enthalpies, entropies, and Gibbs energies of formation were calculated. The obtained thermodynamic characteristics were analyzed and compared with literature data.

JOURNAL OF CHEMICAL THERMODYNAMICS (2023)

Add to Collection

Article Chemistry, Analytical

A novel tyramine biosensor based on carbon nanofibers, 1-butyl-3-methylimidazolium tetrafluoroborate and gold nanoparticles

Pinar Esra Erden, Ceren Kacar Selvi, Esma Kilic

Summary: A novel amperometric tyramine biosensor was fabricated by immobilizing tyrosinase on a glassy carbon electrode modified with a composite film of carbon nanofibers, chitosan, ionic liquid, and gold nanoparticles. The sensor showed high sensitivity and selectivity for tyramine detection, with a linear working range, sensitivity, and detection limit under optimal conditions. This biosensor also demonstrated good selectivity and applicability for detecting tyramine levels in soy sauce samples.

MICROCHEMICAL JOURNAL (2021)

Add to Collection

Article Chemistry, Physical

Additive-free electrodeposition of cobalt on silicon from 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid

Lucia Allebrandt da Silva Ries, Henrique Alves de Brito, Fabiano Perin Gasparin, Iduvirges Lourdes Muller

Summary: This study utilized the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate as an efficient and environmentally-friendly electrolyte for the electrodeposition of nanocrystalline cobalt films on a silicon substrate. The electrodeposition of cobalt was found to occur by three-dimensional instantaneous nucleation with diffusion-controlled growth, resulting in high-quality and pure metallic cobalt deposits. Elevated current efficiencies were achieved, indicating the great potential of the ionic liquid for cobalt electrodeposition on silicon substrates.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Add to Collection

Article Engineering, Environmental

1-Butyl-3-methylimidazolium Chloride Affects Anaerobic Digestion through Altering Organics Transformation, Cell Viability, and Microbial Community

Qi Lu, Dandan He, Xuran Liu, Mingting Du, Qing Xu, Dongbo Wang

Summary: In this study, the effects of BmimCl on glucose anaerobic digestion were investigated, and it was found that BmimCl inhibited methane production and the biotransformation of butyrate, hydrogen, and acetate. The toxicological mechanism showed that BmimCl destroyed the conformational structure of extracellular polymeric substances, leading to microbial cell inactivation. Molecular ecological network analysis revealed the reduced stability of the microbial community in the presence of BmimCl.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2023)

Add to Collection

Article Chemistry, Physical

Understanding the CO2 valorization to propylene carbonate catalyzed by 1-butyl-3-methylimidazolium amino acid ionic liquids

Elisa Hernandez, Ruben Santiago, Cristian Moya, Pablo Navarro, Jose Palomar

Summary: This study proposes the use of amino acid based ionic liquids as catalysts to promote the conversion of CO2 with propylene oxide to produce propylene carbonate. Experimental results demonstrate that aa-ILs with higher CO2 absorption capacity can catalyze the reaction more effectively.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Add to Collection

Article Thermodynamics

Effect of 1-butyl-3-methylimidazolium hexafluorophosphate as the humectant on the thermal decomposition of nitrocellulose

Andong Yu, Xinmiao Liang, Min Hua, Lu Qian, Xuhai Pan, Yiming Jang, Sanming Wang, Juncheng Jiang

Summary: Nitrocellulose, a versatile and thermosensitive material, has caused numerous fire and explosion accidents due to its thermal instability during production, transport, storage, and use. Humectants are commonly used to improve the safety of nitrocellulose. This study evaluated the thermal stability of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and its ability to serve as a humectant for nitrocellulose. Results showed that [Bmim][PF6] exhibited high thermal stability, inhibited the decomposition of nitrocellulose, and absorbed nitrogen dioxide, thereby improving the safety of nitrocellulose.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2023)

Add to Collection

Article Thermodynamics

Effect of 1-Butyl-3-MethylImidazolium bis(trifluoromethylsulfonyl)imide on spontaneous combustion of bituminous coal

Rui-Jie Xu, Shang-Hao Liu, Ke-Fan Wu, Chang-Fei Yu

Summary: Coal spontaneous combustion endangers the safety of the coal industry and results in the emission of a large amount of carbon dioxide, which poses a threat to the ecological environment. This study demonstrates that ionic liquid can be used as a flame retardant to inhibit the spontaneous combustion of coal.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2023)

Add to Collection

Article Chemistry, Physical

Ignition Delay Reduction with Sodium Addition to Imidazolium-Based Dicyanamide Ionic Liquid

Anna Thomas, Steven D. Chambreau, Ghanshyam L. Vaghjiani

JOURNAL OF PHYSICAL CHEMISTRY A (2019)

Add to Collection

Article Chemistry, Physical

Computational Study of the Reaction of 1-Methyl-4-amino-1,2,4-triazolium Dicyanamide with NO2: From Reaction Dynamics to Potential Surfaces, Kinetics and Spectroscopy

Jianbo Liu, Wenjing Zhou, Steven D. Chambreau, Ghanshyam L. Vaghjiani

JOURNAL OF PHYSICAL CHEMISTRY B (2019)

Add to Collection

Article Chemistry, Physical

Thermal Decomposition and Hypergolic Reaction of a Dicyanoborohydride Ionic Liquid

Anna E. Thomas, Steven D. Chambreau, Neil D. Redeker, Alan A. Esparza, Evgeny Shafirovich, Tatjana Ribbeck, Jan A. P. Sprenger, Maik Finze, Ghanshyam Vaghjiani

JOURNAL OF PHYSICAL CHEMISTRY A (2020)

Add to Collection

Article Chemistry, Physical

Molecular Dynamics Simulations and Product Vibrational Spectral Analysis for the Reactions of NO2 with 1-Ethyl-3-methylimidazolium Dicyanamide (EMIM+DCA-), 1-Butyl-3-methylimidazolium Dicyanamide (BMIM+DCA-), and 1-Allyl-3-methylimidazolium Dicyanamide (AMIM+DCA-)

Jianbo Liu, Wenjing Zhou, Steven D. Chambreau, Ghanshyam L. Vaghjiani

JOURNAL OF PHYSICAL CHEMISTRY B (2020)

Add to Collection

Article Thermodynamics

Two-stage decomposition of 2-hydroxyethylhydrazinium nitrate (HEHN)

Alan A. Esparza, Steven D. Chambreau, Ghanshyam L. Vaghjiani, Evgeny Shafirovich

COMBUSTION AND FLAME (2020)

Add to Collection

Article Chemistry, Physical

Experimental and Theoretical Investigations of the Radical-Radical Reaction: N2H3 + NO2

Ghanshyam L. Vaghjiani, Hongyan Sun, Steven D. Chambreau

JOURNAL OF PHYSICAL CHEMISTRY A (2020)

Add to Collection

Article Chemistry, Physical

Ionic Liquid Clusters Generated from Electrospray Thrusters: Cold Ion Spectroscopic Signatures of Size-Dependent Acid-Base Interactions

Helen J. Zeng, Thien Khuu, Steven D. Chambreau, Jerry A. Boatz, Ghanshyam L. Vaghjiani, Mark A. Johnson

JOURNAL OF PHYSICAL CHEMISTRY A (2020)

Add to Collection

Article Chemistry, Physical

Molecular Dynamics Simulations, Reaction Pathway and Mechanism Dissection, and Kinetics Modeling of the Nitric Acid Oxidation of Dicyanamide and Dicyanoborohydride Anions

Wenjing Zhou, Jianbo Liu, Steven D. Chambreau, Ghanshyam L. Vaghjiani

JOURNAL OF PHYSICAL CHEMISTRY B (2020)

Add to Collection

Article Chemistry, Physical

Study of the Reaction of Hydroxylamine with Iridium Atomic and Cluster Anions (n=1-5)

Sandra M. Ciborowski, Robert Buszek, Gaoxiang Liu, Moritz Blankenhorn, Zhaoguo Zhu, Mary A. Marshall, Rachel M. Harris, Tatsuya Chiba, Evan L. Collins, Sara Marquez, Jerry A. Boatz, Steven D. Chambreau, Ghanshyam L. Vaghjiani, Kit H. Bowen

Summary: This study investigates the activation of hydroxylamine in ionic liquids by anionic iridium clusters, and proposes a preliminary reaction mechanism leading to the formation of Ir(NOH)(-). Photoelectron spectral differences and DFT calculations illustrate the electronic changes imposed by the hydroxylamine fragment on the iridium clusters.

JOURNAL OF PHYSICAL CHEMISTRY A (2021)

Add to Collection

Article Chemistry, Physical

Thermal and Catalytic Decomposition of 2-Hydroxyethylhydrazine and 2-Hydroxyethylhydrazinium Nitrate Ionic Liquid

Steven D. Chambreau, Denisia M. Popolan-Vaida, Oleg Kostko, Jae Kyoo Lee, Zhenpeng Zhou, Timothy A. Brown, Paul Jones, Kuanliang Shao, Jingsong Zhang, Ghanshyam L. Vaghjiani, Richard N. Zare, Stephen R. Leone

Summary: This study aims to develop chemical kinetics models for the combustion of ionic liquid-based monopropellants. Investigations on the thermal and catalytic decomposition of 2-hydroxyethylhydrazinium nitrate (HEHN) were carried out using different mass spectrometric techniques to understand the decomposition process and identify the products and reaction mechanisms.

JOURNAL OF PHYSICAL CHEMISTRY A (2022)

Add to Collection

Article Spectroscopy

Iridium catalyst detection by laser induced breakdown spectroscopy

Matthew Burnette, Steven D. Chambreau, Ghanshyam L. Vaghjiani

Summary: Monopropellant catalytic thrusters have been used for decades in space systems due to their simplicity and reliability. However, there is currently no in-sita diagnostic technique to measure the health status of the catalyst in such devices. This study reports a gas-phase diagnostic technique for quantifying iridium, a common catalyst material, using laser induced breakdown spectroscopy.

SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY (2022)

Add to Collection

Article Physics, Atomic, Molecular & Chemical

The gas phase reaction of iridium and iridium carbide anions with 2-hydoxyethylhydrazine (HEH)

Moritz Blankenhorn, Tatsuya Chiba, Jerry A. Boatz, Steven D. Chambreau, Gerd Gantefoer, Kit H. Bowen

Summary: Understanding the chemistry of compounds similar to hydrazine has two advantages: finding alternatives and revealing reaction mechanisms. This study investigates the reaction between 2-hydroxyethylhydrazine and an Ir-anion as well as with IrC- using gas phase photoelectron spectroscopy and density functional theory.

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2022)

Add to Collection

Article Chemistry, Physical

Structures, proton transfer and dissociation of hydroxylammonium nitrate (HAN) revealed by electrospray ionization tandem mass spectrometry and molecular dynamics simulations

Wenjing Zhou, Jianbo Liu, Steven D. Chambreau, Ghanshyam L. Vaghjiani

Summary: This study characterized the structures and reaction dynamics of HAN electrosprays using experiments, simulations and mass spectrometry. The results showed that the HAN monomer adopts a stable covalent structure in the gas phase and can undergo spontaneous proton transfer in the presence of a charged or dipolar collision partner. In negative electrosprays, the addition of NO3- leads to the formation of a stable anion. In positive electrosprays, dissociative reactions occur when a proton approaches the HAN monomer.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Add to Collection

Article Engineering, Aerospace

STUDIES ON THE COMBUSTION OF HAN/METHANOL/WATER PROPELLANTS AND DECOMPOSITION OF HAN AND HEHN

Robert E. Ferguson, Alan A. Esparza, Steven D. Chambreau, Ghanshyam L. Vaghjiani, Evgeny Shafirovich

Summary: The study found that the thermal decomposition of HAN has a significant activation energy, and the addition of iridium/rhodium catalyst can reduce the temperature of full decomposition. The decomposition process of HEHN has been shown to have two stages. Strand burner experiments revealed different pressure dependencies of the linear burning rate within a certain pressure range, while gelling the propellant suppressed these variations, leading to a steady increase in burning rate.

INTERNATIONAL JOURNAL OF ENERGETIC MATERIALS AND CHEMICAL PROPULSION (2021)

Add to Collection

Meeting Abstract Chemistry, Multidisciplinary

Confronting the largest mass poisoning of a population in history by providing clean water in Bangladesh

Steven Chambreau

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2019)

Add to Collection

No Data Available

© Peeref 2019-2024. All rights reserved.