The electronic structure of the fluorine molecule
β Scribed by K. Fajans; O. Johnson
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 392 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Evidence is being presented that F2 has a different type of electronic structure than have Cl2. Br2. as 2s.
suggested by the quanticule theory. The internuclear distance, the vibrational force constant and ew changes on excitation for F2 do not agree with those expected for the structures Xt Z2 X" and x+E2 y+. which fit the 3 other halogen and interhalogen molecules respectively.
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In this paper we extend the well-known MS Xa method for the calculation of the electronic structure of molecules enclosed in the Watson-sphere to the case of an arbitrarily shaped outer surface. A general formalism is discussed. In r&ent years considerable progress has been made in calculating the
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