A theoretical study of 1:1 and 1:2 complexes of acetylene with nitrosyl hydride

Solimannejad, Mohammad; Gharabaghi, Masumeh; Alkorta, Ibón; Sánchez‐Sanz, Goar

doi:10.1007/s11224-011-9931-8

Cited by 6 publications

(1 citation statement)

References 62 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Besides the latter electrostatic attraction, there is also a certain amount of charge that is transferred from the D lone pair into a σ* antibonding A-H orbital, which weakens and lengthens the A-H covalent bond, as well as shifting its stretching vibration to lower frequencies. Over the years since its earliest formulation, the H-bond has been broadened considerably [13][14][15][16][17][18][19][20][21][22][23] . The protondonating and accepting atoms have generalized to less electronegative atoms, such as C, S, and Cl.…”

Section: Introductionmentioning

confidence: 99%

Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bonds

Scheiner

2012

Int J of Quantum Chemistry

265

191

View full text Add to dashboard Cite

The characteristics of the pnicogen bond are explored using a variety of quantum chemical techniques.In particular, this interaction is compared with its halogen and chalcogen bond cousins, as well as with the more common H-bond. In general, these bonds are all of comparable strength. More specifically, they are strengthened by the presence of an electronegative substituent on the electron-acceptor atom, and each gains strength as one moves down the appropriate column of the periodic table, e.g. from N to P to As. These noncovalent bonds owe their stability to a mixture in nearly equal parts of electrostatic attraction and charge transfer, along with a smaller dispersion component. The charge transfer arises from the overlap between the lone pair of the electron donor and a σ* antibond of the acceptor. The angular characteristics of the equilibrium geometry result primarily from a compromise between electrostatic and induction forces. Angular distortions of the H-bond are typically less energetically demanding than comparable bends of the other noncovalent bonds.

show abstract