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• W1968439285 abstract "An analysis of the potential energy surface of the Ar-Cl2 complex was performed using the perturbation theory of intermolecular forces and supermolecular MPPT approach. Two types of minimum were found which correspond to the linear Ar⋯Cl-Cl structure (a primary minimum, De = 222 cm−1, Re = 4.5 Å) and to the T-shaped structure with the argon atom perpendicular to the molecular axis (a secondary minimum, De = 207 cm−1, Re = 3.8 Å). The small difference between the De values does not exceed 16 cm−1 and is mainly due to the induction effects which are larger for the linear form. Although the linear form is lower in energy, the T-shaped isomer may be more stable because its zero-point energy is smaller than that of the linear form by about 18 cm−1 (F.-M. Tao and W. Klemperer, J. Chem. Phys., 97 (1992) 440). Indeed, only the T-shaped form is detected in the excitation and microwave spectroscopy experiments. It is also found that the electron density distribution in the Cl2 case may be visualized as a dumbbell with flattened ends. By comparison, the ClF distribution can be viewed as an unsymmetrical dumbbell with a dent at the chlorine atom." @default.
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• W1968439285 date "1994-04-01" @default.
• W1968439285 modified "2023-10-18" @default.
• W1968439285 title "On the nature of the interaction energy in the Ar-Cl2 complex" @default.
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• W1968439285 doi "https://doi.org/10.1016/0166-1280(94)80128-2" @default.
• W1968439285 hasPublicationYear "1994" @default.
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