Empirical resonance energies for benzene and pyridine
โ Scribed by Philip George; Charles W. Bock; Mendel Trachtman
- Book ID
- 104233356
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- French
- Weight
- 235 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0040-4039
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Experimental values of r ionization potentials, non-subjective linear regression techniques, and graph theory are used to calculate resonance energies with the results, C H 6 6' 0.821 eV; C6H5N, 0.618 eV; C6H5P, 0.661 eV; C6H5As, 0.545 eV; C6H5Sb, 0.607 eV. Group V heterobenzenes are judged to be a
The second energy derivatire of the transmission coefficient. for monochromatic electrons passing through thin fdms (== 100 A) of solid benzene and pyridine. exhibit sharp resonant structures in rhc range O-15 eV, u hich coincide \\oh the electronicenergy IebeIs of the free molecule after shIftin% t
With two KekulC and three Dewar structures, Cooper et al. were able to recover 92% of the benzene r-electron correlation energy (the difference between the SCF energy and the I75-structure minimal basis set limit) by using symmetrically "distorted" AOs. Here it is shown that by using the asymmetric