15 research outputs found
Chemical physics: The standing of a mature discipline
It is always promising and enticing to start a new editorial task in the scientific arena and the launch of the Chemistry Central Journal is no exception. The different thematic sections making up this journal are quite representative of the whole chemistry enterprise. However, one of them has a special relevance. In fact, Chemical Physics (CP) is the most general and it embodies a wide diversity of issues. Of particular importance at the launch of this groundbreaking new journal is the confidence of the Section Editor in BioMed Central (owners of Chemistry Central) as publishers, and from Chemistry Central to its Editorial Board. I feel deeply grateful for this new assignment and I hope to be able to perform a thorough job in editing this section. Below, I make my request to you as potential authors and reviewers
Systematic Fragmentation Method and the Effective Fragment Potential: An Efficient Method for Capturing Molecular Energies
Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal-Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects
Three polymorphic forms of the molybdenum-
(VI) complex [MoO2(L)(EtOH)] (1\u3b1, 1\u3b2, and 1\u3b3) (L2 12 = 4-
methoxy-2-oxybenzaldehyde isonicotinylhydrazonate) were
synthesized by the reaction of H2L with the dioxobis-
(acetylacetonato)molybdenum(VI) complex, [MoO2(acac)2],
in ethanol. Removal of the coordinated ethanol molecule upon
grinding or heating led to the solid-state transformation of the
polymorphs 1\u3b1, 1\u3b2, or 1\u3b3 into the coordination polymer
[MoO2(L)]n (2a). The square inclusion complex
[MoO2(L)]4 83CH2Cl2\ub74CH2Cl2 (2b 83CH2Cl2\ub74CH2Cl2) was
obtained by a self-assembly reaction in dichloromethane.
Standard Gibbs energies of binding for molybdenum(VI)
compounds [MoO2(L)(D)] with the sixth coordination site occupied by a nitrogen or an oxygen donor D were estimated using
quantum chemical calculations. Crystal and molecular structures of the molybdenum(VI) compounds [MoO2(L)(EtOH)] (1\u3b1,
1\u3b2, and 1\u3b3), [MoO2(L)]4 83CH2Cl2\ub74CH2Cl2 (2b 83CH2Cl2\ub74CH2Cl2), [MoO2(L)(\u3b3-pic)]\ub7\u3b3-pic (3\ub7\u3b3-pic), [MoO2(L)(py)] (4),
and [MoO2(L)(DMSO)] (5) were determined by the single crystal X-ray diffraction method. The compounds were further
characterized by chemical analysis, thermogravimetric, and differential scanning calorimetry measurements, IR, UV 12vis, one- and two-dimensional NMR spectroscopies, and the powder X-ray diffraction method