Mihails Arhangelskis
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View article: Experimentally derived charge density of halogen bonds to heavy pnictogens: revealing electronic structure and validating DFT approaches
Experimentally derived charge density of halogen bonds to heavy pnictogens: revealing electronic structure and validating DFT approaches Open
We present the combined experimental and computational charge density study of halogen-bonded cocrystals, containing highly unusual interactions involving heavy pnictogen acceptors. Multipole refinement of high resolution X-ray diffraction…
View article: High-Pressure Polymorphs of <i>n</i> -Butanol Governed by Hydrogen Bonding
High-Pressure Polymorphs of <i>n</i> -Butanol Governed by Hydrogen Bonding Open
View article: Mechanochemical <i>Cis/Trans</i> Isomerization of a Metal Centre Involving a Metal‐Organic Halogen‐Bonded (MOXB) Cocrystal
Mechanochemical <i>Cis/Trans</i> Isomerization of a Metal Centre Involving a Metal‐Organic Halogen‐Bonded (MOXB) Cocrystal Open
Halogen bonding enables the mechanochemical ball‐milling isomerization of an otherwise persistent cis ‐coordinated metal complex into the corresponding trans ‐isomer. The importance of halogen bonding for enabling the cis → trans isomeriza…
View article: Mechanochemical <i>Cis/Trans</i> Isomerization of a Metal Centre Involving a Metal‐Organic Halogen‐Bonded (MOXB) Cocrystal
Mechanochemical <i>Cis/Trans</i> Isomerization of a Metal Centre Involving a Metal‐Organic Halogen‐Bonded (MOXB) Cocrystal Open
Halogen bonding enables the mechanochemical ball‐milling isomerization of an otherwise persistent cis ‐coordinated metal complex into the corresponding trans ‐isomer. The importance of halogen bonding for enabling the cis → trans isomeriza…
View article: Experimentally derived charge density of halogen bonds to heavy pnictogens: revealing electronic structure and validating DFT approaches
Experimentally derived charge density of halogen bonds to heavy pnictogens: revealing electronic structure and validating DFT approaches Open
We present the combined experimental and computational charge density study of halogen-bonded cocrystals, containing highly unusual interactions involving heavy pnictogen acceptors. Multipole refinement of high resolution X-ray diffraction…
View article: Hidden complexity in D2O Ice VII
Hidden complexity in D2O Ice VII Open
Ice VII is thought to play a role in the water-rich interiors of Jupiter's moon Europa and Saturn's moon Enceladus and other planetary bodies. Our understanding of the physical properties of this phase therefore has far-reaching consequenc…
View article: Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives
Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives Open
We demonstrate a systematic application of the mechanochemical liquid-assisted grinding (LAG) methodology to screen for forms of zinc imidazolate (ZnIm2), of fundamental importance as the simplest member of the zeolitic i…
View article: High-Pressure Polymorphs of n-Butanol Governed by Hydrogen Bonding
High-Pressure Polymorphs of n-Butanol Governed by Hydrogen Bonding Open
This study reports the discovery of two new high pressure polymorphs of n-butanol C4H9OH, HP-I and HP-II, expanding the variety of known crystalline structures of this monohydroxy alcohol. Using high-pressure single-crystal and powder X-ra…
View article: Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks using Structure-Directing Liquid Additives
Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks using Structure-Directing Liquid Additives Open
We demonstrate a systematic application of the mechanochemical liquid-assisted grinding (LAG) methodology to screen for forms of zinc imidazolate (ZnIm2), of fundamental importance as the simplest member of the zeolitic imidazolate framewo…
View article: Cooperative Effect of Weak Hydrogen Bond that Governs Cocrystal Formation Over Eutectics
Cooperative Effect of Weak Hydrogen Bond that Governs Cocrystal Formation Over Eutectics Open
View article: The seventh blind test highlights exciting developments in crystal structure prediction
The seventh blind test highlights exciting developments in crystal structure prediction Open
Two reports on the seventh blind test on crystal structure prediction extensively discuss the cutting-edge avant-garde methods of structure generation and energy ranking.
View article: Terahertz-Raman spectroscopy for in situ benchtop monitoring of changes to extended, supramolecular structure in milling mechanochemistry
Terahertz-Raman spectroscopy for in situ benchtop monitoring of changes to extended, supramolecular structure in milling mechanochemistry Open
View article: Perhalogenated Anilines as Bifunctional Donors of Hydrogen and Halogen Bonds in Cocrystals with Ditopic Nitrogen-Containing Acceptors
Perhalogenated Anilines as Bifunctional Donors of Hydrogen and Halogen Bonds in Cocrystals with Ditopic Nitrogen-Containing Acceptors Open
In this study, we examine the experimental and theoretical capabilities of two perhalogenated anilines, 2,3,5,6-tetrafluoro-4-bromoaniline (btfa) and 2,3,5,6-tetrafluoro-4-iodoaniline (itfa) as hydrogen and halogen bond donor…
View article: Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography
Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography Open
Protonation changes the molecular architecture of the crystal structures, and thus modifies the intermolecular interactions in the studied structures.
View article: Exploring polymorphism, stoichiometric diversity and simultaneous existence of salt and cocrystal during cocrystallization using mechanochemistry
Exploring polymorphism, stoichiometric diversity and simultaneous existence of salt and cocrystal during cocrystallization using mechanochemistry Open
We demonstrate here the mechanochemical cocrystallization of trans -aconitic acid with nicotinamide that resulted salt and cocrystal forms with stoichiometric diversity, polymorphism and high Z ′′.
View article: CCDC 2240201: Experimental Crystal Structure Determination
CCDC 2240201: 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 2240204: Experimental Crystal Structure Determination
CCDC 2240204: 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 2240205: Experimental Crystal Structure Determination
CCDC 2240205: 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 2240203: Experimental Crystal Structure Determination
CCDC 2240203: 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 2240207: Experimental Crystal Structure Determination
CCDC 2240207: 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 2240202: Experimental Crystal Structure Determination
CCDC 2240202: 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 2240206: Experimental Crystal Structure Determination
CCDC 2240206: 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 2240200: Experimental Crystal Structure Determination
CCDC 2240200: 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 2281269: Experimental Crystal Structure Determination
CCDC 2281269: 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 2162225: Experimental Crystal Structure Determination
CCDC 2162225: 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 2162226: Experimental Crystal Structure Determination
CCDC 2162226: 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: Three-in-One: Dye-Volatile Cocrystals Exhibiting Intensity-Dependent Photochromic, Photomechanical, and Photocarving Response
Three-in-One: Dye-Volatile Cocrystals Exhibiting Intensity-Dependent Photochromic, Photomechanical, and Photocarving Response Open
Cocrystallization of a cis-azobenzene dye with volatile molecules, such as pyrazine and dioxane, leads to materials that exhibit at least three different light-intensity-dependent responses upon irradiation with low-power visible li…
View article: CCDC 2289502: Experimental Crystal Structure Determination
CCDC 2289502: 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: Competitive Mechanochemical Solvate Formation of Theophylline in the Presence of Miscible Liquid Mixtures
Competitive Mechanochemical Solvate Formation of Theophylline in the Presence of Miscible Liquid Mixtures Open
In this study, we investigated the mechanochemical competitive solvate formation of polymorphic Form II of theophylline in the presence of two solvate/hydrate-forming miscible liquids, namely, water and 2-pyrrolidone. It is known that theo…
View article: Experimental and Theoretical Evaluation of the Thermodynamics of the Carbonation Reaction of ZIF-8 and Its Close-Packed Polymorph with Carbon Dioxide
Experimental and Theoretical Evaluation of the Thermodynamics of the Carbonation Reaction of ZIF-8 and Its Close-Packed Polymorph with Carbon Dioxide Open
We report the first experimental and theoretical evaluation of the thermodynamic driving force for the reaction of metal-organic framework (MOF) materials with carbon dioxide, leading to a metal-organic carbonate phase. Carbonation upon ex…