The electronic absorption spectra of the alkyl-substituted derivatives of bis(benzene)chromium(0) in the vapour phase |
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| Institution: | 1. Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, Curitiba 81531-980, Paraná, Brazil;2. Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, NOVA School of Science and Technology, Universidade NOVA de Lisboa, Caparica 2829-516, Portugal;3. ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, Aarhus C DK-8000, Denmark;1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, People''s Republic of China;2. School of Physics, Shandong University, Jinan 250199, People''s Republic of China;1. Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba, Paraná, Brazil;2. Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal;3. ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000, Aarhus C, Denmark |
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| Abstract: | The UV and visible absorption spectra of (arene)2chromium(0) (arene = benzene (I), toluene (II), ethylbenzene (III), cumene (IV), tert-butylbenzene (V), mesitylene (VI) in the vapour phase have been investigated. Four band systems A,B,C and D are revealed in the spectra. The bands of the system with the shortest wavelengths, D, represent the Rydberg series. The first ionisation potentials IPa1g, 5.18 and 5.01 eV respectively. The Rydberg bands correspond to the allowed electrodipole transitions from the highest occupied molecular orbital (MO) a1g to the vacant MO of either the a2u or e1u type.System C corresponds to the intense band of the solution spectra. The electronic transition e2g → e2g obviously makes a great contribution to this system. System B is assigned to the transition from a1g to vacant a2u or e1u MO, which can be Rydberg orbitals. System A can be assigned to the a1g → e2u transition or to the Rydberg transition, which is forbidden in the D6h point group but becomes allowed upon reduction of symmetry. |
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