Abstract
Ab initio calculations have been performed on the chalcogenido silver(I) model complexes [Ag 4(μ-H 2PCH 2PH 2)4(μ 4-E)] 2+ and their cores [Ag 4(μ 4-E)] 2+ (E = S, Se and Te) at the RHF/3-21G level. The results reveal a chalcogenido-based HOMO and metal-based LUMO. It is envisaged that the excited states of luminescent silver(I) clusters [Ag 4-(μ-dppm) 4-(μ 4-E)] 2+ bear a high parentage of ligand-to-metal charge-transfer LMCT (E 2− → Ag 4) character, mixed with a metal-centred MC (ds/dp) state.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
