Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an anusual quadruplet ground state

A Re(IV) cluster complex [Re3(μ3-S)(μ-S)3(dppe)3Br3]+ with nine cluster skeletal electrons (CSE) and a quadruplet ground state has been prepared by treatment of [Re3S7Br6]Br with 1,2-bis(diphenylphosphino)ethane (dppe) in MeCN

Versatile Coordination of Ag I and Cu I Ions towards cyclo ‐As 5 Ligands

The reactions of the cyclo-As5 complex [Cp*Fe(η5-As5)] (B) with the AgI and CuI salts of the weakly coordinating anion (WCA) [FAl{OC6F10(C6F5)}3]− ([FAl]−) are studied. These reactions allow the synthesis of the mononuclear complexes [M(η5 : η2-B)2][FAl] (M=Ag (1), Cu (2)) when a ratio of B/M(FAl) 2 : 1 is used. Compound 1 shows an unusual disorder of the central AgI cation between two π-coordinating cyclo-As5 ligands, which is absent in 2 pointing to a weak interaction of the Ag center towards the cyclo-As5 ligands in B. When the ratio of B/Ag(FAl) is changed to 3 : 1 or 1 : 1, the respective coordination compounds [Ag(η2-B)3][FAl] (3) and [Ag2(η2 : η2-B)2][FAl]2 (4) are accessible. The coordination modes of the cyclo-As5 units in 1, 3 and 4 are all different, reflecting the adaptive coordination behavior of B towards AgI ions. The optimized geometries in the gas phase of 1–4 are determined by DFT calculations to support the bonding situation observed in their solid-state structures

Structure of the Product of 1,3,5,7-Tetra-tert-butyloctahydro-1H,4аH-imidazo[4′,5′:5,6]dioxino[2,3-d]imidazole Cocrystallization with 1,3-Di-tert-butylimidazol-2-one and 1,3-Di-tert-butylimidazolin-2-ylidene

Structure of the product of imidazolidine (1,3,5,7-tetra-tert-butyloctahydro-1H,4aH-imidazo[4MODIFIER LETTER PRIME,5MODIFIER LETTER PRIME:5,6]dioxino[2,3-d]imidazole) ether cocrytallization with 1,3-di-tert-butylimidazol-2-one and 1,3-di-tert-butylimidazolin-2-ylidene was established by single crystal X-ray diffraction. The co-crystal is the product of the oxidation-hydrolysis of the 1,3-di-tert-butylimidazolin-2-ylidene complex with AlH3

Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine

The crystal structure of the silicon tetrafluoride molecular complex with 4-phenylpyridine SiF4 center dot 2ppy has been determined by X-ray diffraction analysis. Although 4-phenylpyridine has a higher proton affinity than pyridine, the Si-N bond length in crystalline SiF4 center dot 2Py is shorter by 0.03(2) angstrom than in SiF4 center dot 2ppy. The energies of donor-acceptor Si-N bonds in SiF4 center dot 2Py (220.6 kJ/mol) and SiF4 center dot 2ppy (225.0 kJ/mol) calculated by the M06-2X/def2-TZVP method agree with a slightly higher proton affinity of 4-phenylpyridine

Structures of molecular complexes of SbCl5 with pyridine and acetonitrile: equal bond lengths, different stability

Molecular structure of crystalline complex SbCl5 center dot Py was determined for the first time and the structure of the complex SbCl5 center dot AN was refined by means of single crystal X-ray diffraction analysis. It is shown that donor-acceptor Sb-N bond lengths for these complexes are equal within the experimental error. Quantum chemical calculations of the complexes in the gas phase reveal that the energies of the donor-acceptor bond Sb-N are 88 and 180 kJ mol(-1) for SbCl5 center dot AN and SbCl5 center dot Py, respectively. It is established that the length of the donor-acceptor bond Sb-N in the crystal cannot serve as a measure of its strength

DEVELOPMENT OF APPROACH TO THE VALUATION OF COMPANY

A large number of studies have been devoted to the valuation of the company (683 by EconLit at the end of 2015), in which the authors focus on the determination and estimation of cash flow and discount factor, considering the risk factors and impact of management capital. Much less attention is given to the impact on company value of the main stakeholders’ managerial decisions, manifestation of agency conflicts, and necessity for the company to respond promptly to dynamic change of the environment. Therefore, substantiation of the importance and necessity of taking the mentioned factors into account is the main task of this article which is considered by the authors as the development of the approach to the valuation of the company

Reactions of [Fe3(µ3-Q)(CO)9]2–(Q = Se, Te) with organic and organometallic dihalides of group 15 elements – an approach to functionalised clusters

A number of novel nido-clusters of the type [Fe3(µ3-SbR)(µ3-Q)(CO)9] containing the heavier group 16 elements (Q = Se, Te) and Sb as group 15 element with attached functional groups (R = Cp*, (5-C5H4tBu)Fe(CO)2) have been obtained by the reaction of K2[Fe3(µ3-Q)(CO)9](Q = Se, Te) with RSbX2(X = Br, I). Furthermore, a first cluster [Fe3(µ3-BiFe(CO)2(5-C5H4tBu))(µ3-Se)(CO)9] containing a Bi/Se combination has also been synthesised in a similar manner. The novel complexes were comprehensively characterised by various spectroscopic methods as well as by single crystal X-ray diffraction methods

Supramolecular Synthons: Will Giant Rigid Superspheres Do?

For the first time, the concept of supramolecular synthons was applied to giant rigid superspheres based on pentaphosphaferrocene [(CpFe)-Fe-R(eta(5)-P-5)] (R = Me, Et) and Cu(I) halides, which reach 2.1-3.0 nm in diameter. Two supramolecular synthons, sigma-pi and pi-pi, are discovered based on halogen center dot center dot Cp-R and Cp*center dot center dot center dot Cp* specific interactions, respectively. The geometry of the synthons is reproducible in a series of crystal structures of various supramolecules. The sigma-pi synthon alone is realized more frequently for Br-containing superspheres. A combination of the sigma-pi and pi-pi synthons is more typical for Cl-containing supramolecules. Each supramolecule can bear up to nine synthons to give mostly 2D and 3D architectures