Search results for "ionic"
showing 10 items of 2016 documents
The interaction of deoxyribonucleic acid with methyltin(IV) moieties in solution studied by small-angle X-ray scattering, circular dichroism and UV s…
2000
The nature of calf thymus DNA in aqueous solution, in the presence of the organotin(IV) species Sn IV Me 3 , Sn IV Me 2 and Sn IV Me, possibly partly hydrolysed and/or hydrated, was investigated by small-angle X-ray scattering (SAXS), ultraviolet spectroscopy (UV) at different temperatures and circular dichroism (CD). The results are compared with those of previous 119 Sn Mossbauer studies on condensed DNA phases. The effects of tin-phosphate oxygen bonding on the DNA melting profile in DNA-Sn IV Me systems are in agreement with previous reports on DNA-Main Group metal ion interactions. The structure and conformation of the DNA double helix are not influenced by Sn IV Me n species, even in …
Weak interactions between trivalent pnictogen centers: computational analysis of bonding in dimers X3E...EX3 (E = pnictogen, X = halogen).
2009
The nature of weak interactions in dimers X(3)E...EX(3) (E = N-Bi, X = F-I) was investigated by wave function and density functional theory (DFT)-based methods. Out of the 20 systems studied, 10 are found to be bound at the CP-MP2 and LMP2 levels of theory. Detailed partition of the interaction energy into different components revealed that dispersion is the primary force holding the dimers together but there also exists an important ionic component whose contribution increases with increasing halogen size. As expected, standard density functionals fail to describe bonding in the studied systems. However, the performance of DFT methods can be easily improved via empirical dispersion correct…
Solution Chemistry of Element 106: Theoretical Predictions of Hydrolysis of Group 6 Cations Mo, W, and Sg
2001
Fully relativistic molecular density-functional calculations of the electronic structure of hydrated and hydrolyzed complexes have been performed for the group 6 elements Mo, W, and element 106, Sg. By use of the electronic density distribution data, relative values of the free energy changes and constants of hydrolysis reactions were defined. The results show hydrolysis of the cationic species with the formation of neutral molecules to decrease in the order Mo > W > Sg, which is in agreement with experiments for Mo, W, and Sg. For the further hydrolysis process with the formation of anionic species, the trend is reversed: Mo > Sg > W. A decisive energetic factor in the hydrolysis process …
The hydration enthalpies of Md3+ and Lr3+
1988
Lawrencium (3-min 260Lr) and lighter actinides were produced in the bombardment of a 249Bk target with 18O ions and loaded onto a cation exchange column in 0.05 M α-hydroxyisobutyrate solution at pH=4.85, together with the radioactive lanthanide tracers 166Ho, 171Er and 171Tm. In elutions with 0.12 M α=hydroxyisobutyrate solution (pH=4.85), trivalent Lr was eluted exactly together with the Er tracer and Md was eluted close to Ho. Lr elutes much later than expected based on the known elution positions of the lighter actinides and the expected analogy to the elution positions of the homologous lanthanides. From the measured elution positions, ionic radii were calculated for Lr3+ and Md3+. Sem…
Thiophen—Mangantricarbonyl-Komplexe
1967
Abstract Cationic thiophenemanganese tricabonyl complexes of the formula [C 4 (CH 3 ) x H 4- x S Mn(CO) 3 ] + have been prepared with 2-methyl-, 3-methyl-, 2,5-dimethyl-, 2,3,5-trimethyl-, tetramethylthiophene, and with thiophene by the reaction of Mn(CO) 5 Cl+AlCl 3 or AlBr 3 with the thiophenes in petrol ether, at 100–110°. The complexions give yellow solutions which are fairly stable. Their IR and some NMR spectra are given and discussed.
Lattice dynamics of the ionic superconductor Li4C60. Inelastic neutron scattering and powder averaged lattice dynamics (PALD) investigations
2016
General Kinetic Analysis and Comparison of Molecular Weight Distributions for Various Mechanisms of Activity Exchange in Living Polymerizations
1997
The molecular weight distributions in many living (e.g. anionic, group transfer, cationic, and radical) polymerizations strongly depend on the dynamics of various equilibria between chain ends of d...
Synthesis, Spectroscopic Characterization, and Crystal Structure Determination of Cationic [(Cyclopentadienyl)dicarbonyliron](alkynyl)‐aminocarbene C…
1996
(Alkynoyl)iron complexes 1, Cp(CO)2Fe(OCCCR) (R = CH3, Ph, SiMe3), were synthesized by applying a mixed anhydride procedure and transformed into the cationic methoxycarbene complexes 2, [Cp(CO)2 Fe(C(OMe)CCR)+]-[PF6–]. Primary amines H2NR′ react with the methoxycarbene complexes to furnish exclusively cationic aminocarbene complexes 3, [Cp(CO)2 Fe(C(NHR′)CCR)+][PF6–], or (2-methoxyvinyl)aminocarbene complexes 5. The spectroscopic properties of the new complexes are discussed. The (alkynyl)-aminocarbene complexes 3e and 3f were characterized by X-ray crystal structure analysis.
One-dimensional and two-dimensional anilate-based magnets with inserted spin-crossover complexes.
2014
The syntheses, structures, and magnetic properties of a family of bimetallic anilate-based compounds with inserted spin-crossover cationic complexes are reported. The structures of 1-4 present a two-dimensional anionic network formed by Mn(II) and Cr(III) ions linked through anilate ligands with inserted [Fe(III)(sal2-trien)](+) (1), [Fe(III)(4-OH-sal2-trien)](+) (2), [Fe(III)(sal2-epe)](+) (3), or [Fe(III)(5-Cl-sal2-trien)](+) (4) complexes. The structure of 5 is formed by anionic [Mn(II)Cl2Cr(III)(Cl2An)3](3-) chains surrounded by [Fe(II)(tren(imid)3)](2+), Cl(-), and solvent molecules. The magnetic properties indicate that 1-4 undergo a long-range ferrimagnetic ordering at ca. 10 K. On t…
Cationic Iron Aminocarbene Complexes as Dienophiles in Diels‐Alder Reaction with Cyclopentadiene
1996
The cationic iron (alkynyl)aminocarbene complexes [Cp(CO)2Fe(C(NHR)CCSiMe3][PF6], (R C6H5, p-CH3C6H4) 1 derived from aromatic amines smoothly react with cyclopentadiene in dichloromethane to yield the cycloadducts 2. No reaction was observed for complexes derived from sterically demanding aliphatic amines, like L-alanine tert-butyl ester. For comparison, the alkynyl-substituted acyl iron compounds Cp(CO)2Fe(CO)CC (R SiMe3, C6H5) 3 were investigated, requiring TiCl4 catalysis to undergo the cycloaddition reaction. The structures of the cycloadducts 4 were determined by X-ray crystallography.