Manishkumar R. Shimpi
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View article: Fluorine‐Free Bis(glycolato)borate Anion‐Based Salts and Electrolytes: Structures, Properties, and Lithium Compatibility
Fluorine‐Free Bis(glycolato)borate Anion‐Based Salts and Electrolytes: Structures, Properties, and Lithium Compatibility Open
A number of bis(glycolato)borate (BGB) anion‐based salts, comprising Li + , Na + , K +, Mg 2+ and Ca 2+ cations, has been synthesized and characterized. Fluorine‐free electrolytes based on LiBGB and organic solvents, such as dimethyl sulfo…
View article: Anion Architecture Controls Structure and Electroresponsivity of Anhalogenous Ionic Liquids in a Sustainable Fluid
Anion Architecture Controls Structure and Electroresponsivity of Anhalogenous Ionic Liquids in a Sustainable Fluid Open
Three nonhalogenated ionic liquids (ILs) dissolved in 2-ethylhexyl laurate (2-EHL), a biodegradable oil, are investigated in terms of their bulk and electro-interfacial nanoscale structures using small-angle neutron scattering (SANS) and n…
View article: Insights into structural, spectroscopic, and hydrogen bonding interaction patterns of nicotinamide–oxalic acid (form I) salt by using experimental and theoretical approaches
Insights into structural, spectroscopic, and hydrogen bonding interaction patterns of nicotinamide–oxalic acid (form I) salt by using experimental and theoretical approaches Open
In the present work, nicotinamide–oxalic acid (NIC-OXA, form I) salt was crystallized by slow evaporation of an aqueous solution. To understand the molecular structure and spectroscopic properties of NIC after co-crystallization with OXA, …
View article: Molecular Architecture Effects on Bulk Nanostructure in Bis(Orthoborate) Ionic Liquids
Molecular Architecture Effects on Bulk Nanostructure in Bis(Orthoborate) Ionic Liquids Open
A series of 19 ionic liquids (ILs) based on phosphonium and imidazolium cations of varying alkyl‐chain lengths with the orthoborate anions bis(oxalato)borate [BOB] − , bis(mandelato)borate, [BMB] − and bis(salicylato)borate, [BScB] − , are…
View article: Tribochemistry of imidazolium and phosphonium bis(oxalato)borate ionic liquids: Understanding the differences
Tribochemistry of imidazolium and phosphonium bis(oxalato)borate ionic liquids: Understanding the differences Open
Lubrication properties of imidazolium and phosphonium bis(oxalato)borate ionic liquids (ILs) are compared in a reciprocating sliding contact at 80 degrees C and 140 degrees C. Both the influence of the alkyl chain length and the cation arc…
View article: Experimental and Quantum Chemical Studies of Nicotinamide-Oxalic Acid Salt: Hydrogen Bonding, AIM and NBO Analysis
Experimental and Quantum Chemical Studies of Nicotinamide-Oxalic Acid Salt: Hydrogen Bonding, AIM and NBO Analysis Open
The computational modeling supported with experimental results can explain the overall structural packing by predicting the hydrogen bond interactions present in any cocrystals (active pharmaceutical ingredients + coformer) as well as salt…
View article: Molecular Structural, Hydrogen Bonding Interactions, and Chemical Reactivity Studies of Ezetimibe-L-Proline Cocrystal Using Spectroscopic and Quantum Chemical Approach
Molecular Structural, Hydrogen Bonding Interactions, and Chemical Reactivity Studies of Ezetimibe-L-Proline Cocrystal Using Spectroscopic and Quantum Chemical Approach Open
Ezetimibe (EZT) being an anticholesterol drug is frequently used for the reduction of elevated blood cholesterol levels. With the purpose of improving the physicochemical properties of EZT, in the present study, cocrystals of ezetimibe wit…
View article: Molecular Structure, Spectral Investigations, Hydrogen Bonding Interactions and Reactivity-Property Relationship of Caffeine-Citric Acid Cocrystal by Experimental and DFT Approach
Molecular Structure, Spectral Investigations, Hydrogen Bonding Interactions and Reactivity-Property Relationship of Caffeine-Citric Acid Cocrystal by Experimental and DFT Approach Open
The pharmaceutical cocrystal of caffeine-citric acid (CAF-CA, Form II) has been studied to explore the presence of hydrogen bonding interactions and structure-reactivity-property relationship between the two constituents CAF and Citric aci…
View article: Boundary lubricity of phosphonium bisoxalatoborate ionic liquids
Boundary lubricity of phosphonium bisoxalatoborate ionic liquids Open
The lubricating performance of trihexyl(tetradecyl)phosphonium bisoxalatoorthoborate (P-BOB) ionic liquid is analysed at 80 °C and 140 °C, and compared to an ionic liquid containing a partially hydrated version of the anion. The reduction …
View article: Transition anionic complex in trihexyl(tetradecyl)phosphonium-bis(oxalato)borate ionic liquid – revisited
Transition anionic complex in trihexyl(tetradecyl)phosphonium-bis(oxalato)borate ionic liquid – revisited Open
A Transition Anionic Complex (TAC) was formed and passed into [P6,6,6,14][BOB] when Li[BOB] (but not Na[BOB]) was used in the synthesis, significantly altering ILs' properties. The TAC transformed into [BOB]− in the I…
View article: CCDC 1578055: Experimental Crystal Structure Determination
CCDC 1578055: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1581033: Experimental Crystal Structure Determination
CCDC 1581033: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1578056: Experimental Crystal Structure Determination
CCDC 1578056: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1578054: Experimental Crystal Structure Determination
CCDC 1578054: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1423488: Experimental Crystal Structure Determination
CCDC 1423488: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Atomistic Insight into Tetraalkylphosphonium Bis(oxalato)borate Ionic Liquid/Water Mixtures. 2. Volumetric and Dynamic Properties
Atomistic Insight into Tetraalkylphosphonium Bis(oxalato)borate Ionic Liquid/Water Mixtures. 2. Volumetric and Dynamic Properties Open
Atomistic molecular dynamics simulations have been performed to investigate volumetric quantities and dynamic properties of binary trihexyltetradecylphosphonium bis(oxalato)borate ([P6,6,6,14][BOB]) ionic liquid (IL)/water mixtures with di…
View article: Understanding the thermal decomposition mechanism of a halogen-free chelated orthoborate-based ionic liquid: a combined computational and experimental study
Understanding the thermal decomposition mechanism of a halogen-free chelated orthoborate-based ionic liquid: a combined computational and experimental study Open
In the last few decades, ionic liquids (ILs) have gained significant attention as lubricants and lubricant additives due to their polar nature, low vapour pressure and tunable physicochemical properties.
View article: CCDC 1026783: Experimental Crystal Structure Determination
CCDC 1026783: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1026782: Experimental Crystal Structure Determination
CCDC 1026782: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1026780: Experimental Crystal Structure Determination
CCDC 1026780: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1026781: Experimental Crystal Structure Determination
CCDC 1026781: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1026779: Experimental Crystal Structure Determination
CCDC 1026779: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …