Vibronic constants of internal valence orbitals in diatomic molecules
A correlation is established between the spectroscopic values of the orbital vibronic constants (OVC) for the upper molecular orbitals MO and the contributions of these MO to the resonance energy, which has been used to determine the OVC for the inner valence MO 3sigma for the molecules CO, BF, CN, NO, N2, and O2. A relationship has been derived for the OVC as a function of the difference in atomic electronegativities and of the number of valance electrons. An increase in the electronegativities and of the number of valence electrons. An increase in the electronegativity in a series of isoelectronic molecules has the largest effects on the OVC for the 4sigma and 2 * MO. An increase in the number of electrons caused the internal MO 3sigma to expand considerably, and the same occurs with the 1 orbital, but there is virtually no effect on the bonding character of the 4sigma and 5sigma MO.
- OSTI ID:
- 6163953
- Journal Information:
- J. Struct. Chem. (Engl. Transl.); (United States), Vol. 25:6; Other Information: Translated from Zh. Strukt. Khim.; 25: No.6, 18-23(Nov-Dec 1984)
- Country of Publication:
- United States
- Language:
- English
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PHYSICAL AND ANALYTICAL CHEMISTRY
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VIBRATIONAL STATES
BORON FLUORIDES
CARBON MONOXIDE
CHEMICAL BONDS
COMPLEXOMETRY
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BORON COMPOUNDS
CARBON COMPOUNDS
CARBON OXIDES
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FERMIONS
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
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