Electronic structures and spectroscopy of the electron transfer series [Fe(NO)L <inf>2</inf>] ^z (z = 1+, 0, 1-, 2-,3-; L = dithiolene)

• Main Authors: Panida Surawatanawong, Stephen Sproules, Frank Neese, Karl Wieghardt
• Other Authors: Max Planck Institute fur Chemische Energiekonversion
• Format: Article
• Published: 2018
• Subjects: Chemistry
• Online Access: https://repository.li.mahidol.ac.th/handle/123456789/11686
• Institution: Mahidol University

The electronic structures and spectroscopic parameters for the electron transfer series of [Fe(NO)(L) 2 ] z (z = 1+, 0, 1-, 2-, 3-; L = S 2 C 2 R 2 ; R = p-tolyl (1) and CN (2)) were calculated and compared to experiment. Some compounds in the series were isolated and characterized by spectros...