Electronic structures and optical properties of neutral substituted fluorene-based cyclometalated platinum(II)–acetylide complexes: A DFT exploration

Study on the anti‐sulfur‐poisoning characteristics of platinum–acetylide–phosphine complexes as catalysts for hydrosilylation reactions

“…Platinum acetylide complexes such as 3a are readily prepared in high yields from the reaction of phenylacetylene with trans ‐(PPh 3 P) 2 PtCl 2 . Complexes 4a and 5a are also prepared in high yields . In this paper, trans ‐platinum acetylide complexes ( 1b , 2a , 2b , 3a , 3b , 4a , 4b ) were synthesized as shown in Scheme .…”

Dibromido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc(II)

“…For related structures, see: Alizadeh et al (2009); Mahmoudi et al (2009); Huang et al (2009); Ma et al (2009); Bai et al (2009). Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.…”

Molecular and electronic structure elucidation of Fe2+/Fe3+ complexed chelators used in iron sulphide scale removal in oil and gas wells

“…Molecular modelling methods such as DFT (density functional theory) have become an approved tool in the characterization of the electronic structures of compounds . This method has been widely used in studying several metal complexes, including those involving iron species . Jaworska et al studied the iron‐EDTA complex combined with nitrogen monoxide, and Neese and Solomon studied the complex combined with oxygen, while Rizvi et al studied the complex with nitroaromatic compounds.…”