Halogen Bonding I: Impact on Materials Chemistry and Life by Pierangelo Metrangolo, Giuseppe Resnati

By Pierangelo Metrangolo, Giuseppe Resnati

The nature and directionality of halogen bonding; the sigma gap, by means of Timothy Clark, Peter Politzer, Jane S. Murray
Solid-state NMR research of halogen-bonded adducts, by means of David Bryce
Infrared and Raman measurements of halogen bonding in cryogenic strategies, by means of Wouter Herrebout
Halogen bonding within the gasoline section, by means of Anthony C. Legon
Halogen bonding in resolution, Mate Erdelyi
Unconventional motifs for halogen bonding, through Kari Rissanen
Halogen bonding in supramolecular synthesis, Christer Aakeröy
Halogen bond in man made natural chemistry, Stefan M. Huber
Anion attractiveness in resolution through halogen bonding, Mark S. Taylor
Anion delivery with halogen bonds, through Stefan Matile
Halogen bonding in silico drug layout, via Pavel Hobza, Kevin Riley
Biological halogen bonds: An previous puppy with new methods, by way of P. Shing Ho
Principles and purposes of halogen bonding in medicinal chemistry, by way of Frank M. Boeckler
Halogen bond in molecular conductors and magnets, through Marc Foumigué
Halogen bonding in the direction of layout of natural phosphors, by way of Wei Jun Jin
Halogen bond in photoresponsive fabrics, by way of Pierangelo Metrangolo, Giuseppe Resnati, Arri Priimagi

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Cramer CJ (2002) Essentials of computational chemistry. Wiley, Chichester 81. Riley KE, Murray JS, Fanfrlı´k J, Rˇeza´cˇ J, Sola´ RJ, Concha MC, Ramos FM, Politzer P (2013) Halogen bond tunability ii: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds. J Mol Model 19:4651–4659 82. Hirschfelder JO, Eliason MA (1967) Electrostatic Hellmann–Feynman theorem applied to the long-range interaction of two hydrogen atoms. J Chem Phys 47:1164–1169 83. Hunt KLC (1990) Dispersion dipoles and dispersion forces: proof of Feynman’s “conjecture” and generalization to interacting molecules of arbitrary symmetry.

References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44 46 47 49 50 51 52 53 55 55 66 68 71 73 74 1 Introduction This chapter compares the gas-phase properties of two groups of binary complexes, in both of which the components are held together by means of an iodine bond. The two groups of complexes are of the general type BÁ Á ÁI–R, where B is one of a range of simple Lewis bases and R is either the atom Cl [1–9] or the group CF3 [10–16].

Polarization is an intrinsic part of any Coulombic interaction (unless only point charges are involved) [25, 28, 29, 69, 70]; it cannot be viewed separately. The electric fields of the participants polarize each other’s charge distributions. Consider the formation of a σ-hole complex A—B in which the positive σ-hole is on A and the negative site on B. Then the shifting (polarization) of the electronic densities of A and B are as shown in 6. A------B ← ← 6 The importance of polarization is confirmed by plots showing the difference between the computed electronic density of a σ-hole complex A—B and that of the imaginary unperturbed system mentioned above: free A and free B placed at the same separation as in the complex [25, 69, 71, 72].

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