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Solvent and Substituent Control of Noncovalent Interactions in nido -Heteroboranes: A DFT Study

https://doi.org/10.2139/ssrn.6174898
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Variable Photophysical Properties of Phosphorescent Iridium(III) Complexes Triggered by closo‐ and nido‐Carborane Substitution
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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
inferredcites →https://doi.org/10.1016/j.ijhydene.2020.12.163openalex-snapshot
Solubility thermodynamics of amine boranes in polar solvents
inferredcites →https://doi.org/10.1021/acs.chemrev.5b00560openalex-snapshot
Computer Modeling of Halogen Bonds and Other σ-Hole Interactions
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Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics
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New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of nido -Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate
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Why do molecules interact? The origin of electron donor-acceptor complexes, hydrogen bonding and proton affinity
inferredcites →https://doi.org/10.1021/cr000442topenalex-snapshot
Three-Dimensional Aromaticity in Polyhedral Boranes and Related Molecules
inferredcites →https://doi.org/10.1021/cr0403640openalex-snapshot
Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces
inferredcites →https://doi.org/10.1021/cr990356xopenalex-snapshot
Electronic Requirements for Macropolyhedral Boranes
inferredcites →https://doi.org/10.1021/ic0106165openalex-snapshot
Defective Vertices in closo- and nido-Borane Polyhedra
inferredcites →https://doi.org/10.1021/ic049184zopenalex-snapshot
Structural Increment System for 11-Vertexnido-Boranes and Carboranes
inferredcites →https://doi.org/10.1021/ic50095a046openalex-snapshot
Carboranes and boranes; polyhedra and polyhedral fragments
inferredcites →https://doi.org/10.1021/ja9083545openalex-snapshot
Rattling in the Cage: Ions as Probes of Sub-picosecond Water Network Dynamics
inferredcites →https://doi.org/10.1021/jacs.4c07821openalex-snapshot
“Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors
inferredcites →https://doi.org/10.1021/jacs.4c10728openalex-snapshot
Dative Bonding Activation Enables Precise Functionalization of the Remote B–H Bond of nido-Carborane Clusters
inferredcites →https://doi.org/10.1021/jp511101nopenalex-snapshot
Chalcogen and Pnicogen Bonds in Complexes of Neutral Icosahedral and Bicapped Square-Antiprismatic Heteroboranes
inferredcites →https://doi.org/10.1021/jp810292nopenalex-snapshot
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
inferredcites →https://doi.org/10.1023/a:1008193805436openalex-snapshot
Molden: a pre- and post-processing program for molecular and electronic structures*
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Accurate Coulomb-fitting basis sets for H to Rn
inferredcites →https://doi.org/10.1039/c5cp03617hopenalex-snapshot
The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding
inferredcites →https://doi.org/10.1039/c7cp08220gopenalex-snapshot
Dihydrogen vs. hydrogen bonding in the solvation of ammonia borane by tetrahydrofuran and liquid ammonia
inferredcites →https://doi.org/10.1039/d5cc00528kopenalex-snapshot
Towards water-tolerant ansa -aminoboranes for parahydrogen-induced polarization and beyond
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1107/s2053229623004072openalex-snapshot
Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress
inferredcites →https://doi.org/10.3390/cryst12050688openalex-snapshot
Conformation-Dependent Electron Donation of Nido-Carborane Substituents and Its Influence on Phosphorescence of Tris(2,2′-bipyridyl)ruthenium(II) Complex
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