Journal ArticleDOI
A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentials
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This article is published in Journal of the American Chemical Society.The article was published on 1986-04-01. It has received 216 citations till now. The article focuses on the topics: Scale (ratio) & Polarizability.read more
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Book ChapterDOI
The Nature and Analysis of Substitutent Electronic Effects
Robert W. Taft,R. D. Topsom +1 more
Journal ArticleDOI
A systematic study of basis set, electron correlation, and geometry effects on the electric multipole moments, polarizability, and hyperpolarizability of HCl
TL;DR: The electric multipole moments, dipole and quadrupole polarizability and hyperpolarizability of hydrogen chloride have been determined from an extensive and systematic study based on finite-field fourth-order many-body perturbation theory and coupled-cluster calculations as discussed by the authors.
Journal ArticleDOI
Observations on the strength of hydrogen bonding
TL;DR: In this article, the Gibbs energy change ΔGHB for the formation of 1:1 hydrogen bonding complexes between hydrogen bond acceptors (bases) and a reference hydrogen bond donor (4-fluorophenol) in tetrachloromethane at 298 K was measured.
Journal ArticleDOI
Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds
TL;DR: Spectroscopic data reveal that PAd3, benefiting from the polarizability inherent to large hydrocarbyl groups, exhibits unexpected electron releasing character that exceeds other alkylphosphines and falls within a range dominated by N-heterocyclic carbenes.
Journal ArticleDOI
The diiodine basicity scale: toward a general halogen-bond basicity scale.
TL;DR: The pK(BI2) values of nBu(3)N(+)-N(-)C≡N, 2-aminopyridine and 1,10-phenanthroline reveal a superbasic nitrile, a hydrogen-bond-assisted iodine bond and a two-centre iodine bond, respectively.
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