92405671.828

The Dihydrogen Bond - Hydrogen Bonding between Oppositely Charged Hydrogen Atoms:Spectroscopy and Structure


東北大院理

○Ganpathi N Patwari,江幡孝之,三上直彦



Abstract


It is well known that a hydrogen atom attached to an electronegative atom, such as, oxygen or nitrogen or halogen, acquires a partial positive charge. On the other hand a hydrogen atom bonded to an electropositive element, such as, metal or boron, acquires a partial negative charge. The dihydrogen bonding is therefore an electrostatic/dipolar interaction between two oppositely charged hydrogen atoms. Recently, we have investigated the existence of dihydrogen bonded complexes in the gas phase between phenol and borane-amine adducts using electronic and vibrational spectroscopy. Based on the spectroscopic observations the structure of the dihydrogen bonded complexes was derived with the help of high level ab initio calculations.

It is well known that a hydrogen atom attached to an electronegative atom, such as, oxygen or nitrogen or halogen, acquires a partial positive charge. On the other hand a hydrogen atom bonded to an electropositive element, such as, metal or boron, acquires a partial negative charge. The dihydrogen bonding is therefore an electrostatic/dipolar interaction between two oppositely charged hydrogen atoms. Recently, we have investigated the existence of dihydrogen bonded complexes in the gas phase between phenol and borane-amine adducts using electronic and vibrational spectroscopy. Based on the spectroscopic observations the structure of the dihydrogen bonded complexes was derived with the help of high level ab initio calculations.