Dimerization of a fluorocarbyne complex to a tetrahedrane derivative: fluorocarbyne and difluoroacetylene cobalt carbonyl complexes.

Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh† †Electronic supplementary information (ESI) available. CCDC 1518497–1518499. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc05391b Click here for additional data file. Click here for additional data file.

Synthesis and investigation the thermal behavior thermodynamically of new metal Complex of Cobalt nitrate

Increasing the molecular accumulation and density of high-energy substances have a determinative role in improving the performance and intensity of energy release. Therefore, it is possible to increase the density of high-energy materials if the high-energy molecules can be arranged around a metal core as coordinated molecules. The aim of this project was to synthesize energetic complexes of cy...

DFT Study of 1H-tetrazolyl derivatives of tetrahedrane

Tetrazole-containing compounds have been the subject of much recent research because of theirpotential as high energy density materials (HEDMs). In this work, theoretical studies on the 1Htetrazolylderivatives of tetrahedrane were done at the density functional theory (DFT) method withthe 6-31G(d) basis set without any symmetrical restrictions in order to find the structural andenergetically pr...

Butterfly and rhombus structures for binuclear cobalt carbonyl sulfur and phosphinidene complexes of the type Co2(CO)6E2 (E = S, PX).

Theoretical studies on Co(2)(CO)(6)(PX)(2) derivatives (X = H, Cl, OH, OMe, NH(2), NMe(2)) predict the lowest energy structures to be butterfly structures containing five two-electron two-center bonds in the central Co(2)P(2) unit. Among these butterfly structures the energy increases as the unique bond forming the "body" of the butterfly changes from Co-Co to Co-P and then P-P. Higher energy r...

Manganese carbonyl terpyridyl complexes: their synthesis, characterization and potential application as CO-release molecules.

Mn(I) carbonyl terpyridyl complexes have been synthesized and characterized. The tricarbonyl derivative exhibits interesting behaviors for controlled CO-release by both thermal and photosynthetic pathways.