Search results for "Halomethane"
showing 2 items of 12 documents
Natural organic matter coagulation in Valencia water supply. Pilot plant studies
1998
: To reduce disinfection by-product (DBP) formation in drinking water treatment, the presence of natural organic matter in surface waters must be minimised. This paper describes pilot plant studies carried out on two surface waters to assess the effectiveness of coagulation in organic matter removal, the Turia and Jucar rivers, which supply the city of Valencia (1m inhabitants). The experiments were conducted with different coagulants (iron sulphate, polyaluminium chloride (PACl)) and treatment schemes. Process effectiveness was evaluated in terms of effluent turbidity, presence of residual metal in final water, and organic matter removal. Four parameters were used to quantify organic matte…
The H2C(X)–X•••X– (X = Cl, Br) Halogen Bonding of Dihalomethanes
2017
The dihalomethane–halide H2C(X)–X···X– (X = Cl, Br) halogen bonding was detected in a series of the cis-[PdX(CNCy){C(NHCy)═NHC6H2Me2NH2}]X•CH2X2 (X = Cl, Br) associates by single-crystal XRD followed by DFT calculations. Although ESP calculations demonstrated that the σ-hole of dichloromethane is the smallest among all halomethane solvents (the maximum electrostatic potential is only 2.6 kcal/mol), the theoretical DFT calculations followed by Bader’s QTAIM analysis (M06/DZP-DKH level of theory) confirmed the H2C(X)–X···X– halogen bond in both the solid-state and gas-phase optimized geometries. The estimated bonding energy in H2C(X)–X···X– is in the 1.9–2.8 kcal/mol range. peerReviewed