Ustun, ElvanDemir, SerpilCoskun, FeyzullahKaloglu, MuratSahin, OnurBuyukgungor, OrhanOzdemir, Ismail2024-08-042024-08-0420160022-28601872-8014https://doi.org/10.1016/j.molstruc.2016.07.002https://hdl.handle.net/11616/97417Novel tetracarbonyl complexes of type W(CO)(4)L-2 (L: 4-chlorobenzylimidazoline; 4-methylbenzylimidazoline; 3,5-dimethylbenzylimidazoline; 2,4,6-trimethylbenzylimidazoline; 2,3,5,6-tetramethylbenzylimidazoline) were synthesized. Then newly synthesized novel compounds were characterized by IR, H-1 NMR, C-13 NMR and LC-MS. The characterizations of two of the complexes have also been confirmed with single crystal X-Ray diffraction and OFT optimization results of these complexes have been compared with single crystal results. We have investigated the solvent effect on the structure and metal-to-ligand charge transfer (MLCT) transitions with OFT/TDDFT calculations with ORCA package program with BP86 functional. (C) 2016 Elsevier B.V. All rights reserved.eninfo:eu-repo/semantics/closedAccessPhotoCORMsImidazolineCO-releasing moleculesDFT/TDDFTTungsten carbonyl complexesArticle112343344010.1016/j.molstruc.2016.07.0022-s2.0-84978640785Q2WOS:000381833100051Q3