Green-function method is empXoyed, within the framework of the CNDU approu-imation to the zero-order wavefunction, to c!dculate the photoelectron spectrum of the CF4 and SiF4 molecules, The agreement between theoretical and euperimental ionization potentials is quite good aitd a sensible ~prove~ent
Vertical ionization potential of the CF2 radical
β Scribed by D.L. Hildenbrand
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 377 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The CF2 radical was gene&ted in an equilibrium effusion cell by tke react&m of gaseous SF6 with carbon at~l550 K. From electron impact threshold measuxm~nts, the vertiai i[P of CFZ was found to be 11.5'4 c 0.10 eV. This vaIue is
π SIMILAR VOLUMES
Ihe gaseous equiLiirium S + CF2 = SF + CF was studied over the temperature range 18.5 L to 2232 K by mzss spectiemetry, and the derived enthalpy change was used to evaluate the heat of formation of CF AH&g8 = 58.0 + 2.4 kcal/mol (2.3& f 0.10 eV), and the dissotition energy Dt(C\_F) = 130.8 r 2.4 kca
The coupled-cluster method in an open-shell version with non-Hen&an model interaction is applied for direct calculation of vertical ionization potentials of closed-shell molecular systems. The theory is illustrated by calculation of vertical ionization potentials of the water molecule. The calculate