Calculation of molecular polarizabilities: the indo method applied to some aromatic hydrocarbons
โ Scribed by P.J. Bounds
- Book ID
- 107732274
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 311 KB
- Volume
- 70
- Category
- Article
- ISSN
- 0009-2614
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๐ SIMILAR VOLUMES
Moderately accurate molecular weights of aromatic compounds containing only one basic aromatic system can be calculated using the ratio of peripheral carbon atoms (C,) to the total number of aromatic carbon atoms (C,). This ratio is readily determined from nuclear magnetic resonance/infra-red measur
We show here that, with the incorporation of intermolecular distance dependence of x-o interactions, the INDO 1 /S method promises to be a very useful tool for investigating the structure and energetics of singlet excimers of polycyclic aromatic hydrocarbons. Application of the method to naphthalene