Maxim N. Sokolov

Bio: Maxim N. Sokolov is an academic researcher from Russian Academy of Sciences. The author has contributed to research in topics: Crystal structure & Supramolecular chemistry. The author has an hindex of 35, co-authored 470 publications receiving 5796 citations. Previous affiliations of Maxim N. Sokolov include Newcastle University & Novosibirsk State University.

A Novel Framework Type for Inorganic Clusters with Cyanide Ligands: Crystal Structures of Cs2Mn3[Re6Se8(CN)6]2⋅15 H2O and (H3O)2Co3[Re6Se8(CN)6]2⋅14.5 H2O

Abstract: Large cavities occupied by cations and water molecules are part of the polymeric inorganic cluster structure made up of [Re6Se8(CN)6]4− and M2+ ions (M=Mn, Co; see structure on the right). Remarkably, the water molecules play an essential role in the stabilization of the structure: When the cluster is heated to 80–160°C, water is lost irreversibly, and a sharp change in structure is observed.

Behavioral Patterns of Heterometallic Cuboidal Derivatives of [M3Q4(H2O)9]4+ (M = Mo, W; Q = S, Se)

Abstract: This Account reports recent progress in the study of some ∼20 heterometal derivatives of [Mo3S4(H2O)9]4+ with reference also to W and Se analogues. Single cubes (3:1) and corner-shared double cubes (6:1), as well as dimers of the 3:1 single cubes, are considered. A classification of the heterometals as subtypes A, B, and C is introduced.

Mono- and polynuclear aqua complexes and cucurbit[6]uril: Versatile building blocks for supramolecular chemistry

Abstract: The review surveys new data on the directed construction of supramolecular or- ganic-inorganic compounds from macrocyclic cavitand cucurbit(6)uril (C 36 H 36 N 24 O 12 ) and mono- and polynuclear aqua complexes. Due to the presence of polarized carbonyl groups, cucurbit(6)uril forms strong complexes with alkali, alkaline earth and rare-earth metal ions, and hydrogen-bonded supramolecular adducts with cluster and polynuclear aqua complexes of transitional metals. A wide variety of supramolecular compounds and their unique struc- tures are described.

Highly luminescent complexes [Mo6X8(n-C3F7COO)6]2- (X=Br, I).

Abstract: New complexes (Bu4N)2[Mo6X8(n-C3F7COO)6] (X = Br, I) display extraordinarily bright long-lived red phosphorescence both in solution and solid phases, with the highest emission quantum yields and the longest emission lifetimes among hexanuclear metal cluster complexes of Mo, W and Re, hitherto reported

Mechanochemistry: opportunities for new and cleaner synthesis

Abstract: The aim of this critical review is to provide a broad but digestible overview of mechanochemical synthesis, i.e. reactions conducted by grinding solid reactants together with no or minimal solvent. Although mechanochemistry has historically been a sideline approach to synthesis it may soon move into the mainstream because it is increasingly apparent that it can be practical, and even advantageous, and because of the opportunities it provides for developing more sustainable methods. Concentrating on recent advances, this article covers industrial aspects, inorganic materials, organic synthesis, cocrystallisation, pharmaceutical aspects, metal complexes (including metal–organic frameworks), supramolecular aspects and characterization methods. The historical development, mechanistic aspects, limitations and opportunities are also discussed (314 references).

The cucurbit[n]uril family

Abstract: In 1981, the macrocyclic methylene-bridged glycoluril hexamer (CB[6]) was dubbed "cucurbituril" by Mock and co-workers because of its resemblance to the most prominent member of the cucurbitaceae family of plants--the pumpkin. In the intervening years, the fundamental binding properties of CB[6]-high affinity, highly selective, and constrictive binding interactions--have been delineated by the pioneering work of the research groups of Mock, Kim, and Buschmann, and has led to their applications in waste-water remediation, as artificial enzymes, and as molecular switches. More recently, the cucurbit[n]uril family has grown to include homologues (CB[5]-CB[10]), derivatives, congeners, and analogues whose sizes span and exceed the range available with the alpha-, beta-, and gamma-cyclodextrins. Their shapes, solubility, and chemical functionality may now be tailored by synthetic chemistry to play a central role in molecular recognition, self-assembly, and nanotechnology. This Review focuses on the synthesis, recognition properties, and applications of these unique macrocycles.

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Hybrid Organic−Inorganic Polyoxometalate Compounds: From Structural Diversity to Applications

Abstract: Polyoxometalates (POMs) are discrete anionic metaloxygen clusters which can be regarded as soluble oxide fragments. They exhibit a great diversity of sizes, nuclearities, and shapes. They are built from the connection of {MOx} polyhedra, M being a d-block element in high oxidation state, usually VIV,V, MoVI, or WVI.1 While these species have been known for almost two centuries, they still attract much interest partly based on their large domains of applications. They play a great role in various areas ranging from catalysis,2 medicine,3 electrochemistry,4 photochromism,5 to magnetism.6 This palette of applications is intrinsically due to the combination of their added value properties (redox properties, large sizes, high negative charges, nucleophilicity...). Parallel to this domain, the organic-inorganic hybrids area has followed a similar expansion during the last 10 years. The concept of organic-inorganic hybrid materials * To whom correspondence should be addressed. E-mail: dolbecq@ chimie.uvsq.fr. Chem. Rev. 2010, 110, 6009–6048 6009