Extended basis set computations on SCF and CEPA level were performed for BHJNHs and BHsPHs to determine the complexation energy AE and the equilibrium distance r(BX) between the "heavy" atoms. Our CEPA results (SCF in parentheses): AJ!?(BH~NH) = -27(-21.3) kcal/mol, M(LiHsPH3) = -17(-11.8) kcal/mol,
The dissociation energies of the positive ions NH+3, NF+3, PH+3, PF+3 and PCl+3
✍ Scribed by R. Rüede; H. Troxler; Ch. Beglinger; M. Jungen
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 373 KB
- Volume
- 203
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
We present new values for the appearance energies as well as breakdown diagrams for the fragmentation ofthe title compounds as measured with threshold photoelectron photoion coincidence spectroscopy in the energy range up to 20 eV.
📜 SIMILAR VOLUMES
A phase-shift method has been used to study the bimolecular and termolecular reactions of HF(~P~) with EiH3. The bimolecular and termolecular rate constants are 3.8 x IO-13 cm3moIecule~1sec-and 1.4 X 1O-3o cm6 molecule-2sec-1, respectively. From the difference between the wavelengths of peak emissio
Ab initio calculations, including extrapolation to the complete basis set limit, are reported for the dissociation energy of NF(X'Z-). The resultsofthese calculations giveD,,(NF)=76.1 to.9 kcal/mol.