Search results for "bonds"
showing 10 items of 155 documents
Ferrimagnetic Heisenberg chain; influence of a random exchange interaction
1985
We report on the magnetic behavior of ‘‘rigid’’ ferrimagnetic chains isolated in bimetallic complexes of the EDTA and ‘‘flexible’’ ones obtained in the amorphous variety. As shown by LAXS, the only noteworthy difference in the amorphous state is the random distribution of bond angles between nearest neighbors within chains. The ‘‘rigid’’ bimetallic chains in CoNi(EDTA)6H2O are described in terms of Heisenberg model with an exchange coupling J=−7.5 K. The behavior of the amorphous variety somewhat differs, following the law X=AT−0.8 typical of REHAC. A classical spin chain model involving a J distribution and alternating g factors allows to explain successfully the temperature dependence of …
A Halogen-Bonded Dimeric Resorcinarene Capsule.
2015
Iodine (I2) acts as a bifunctional halogen-bond donor connecting two macrocyclic molecules of the bowl-shaped halogen-bond acceptor, N-cyclohexyl ammonium resorcinarene chloride 1, to form the dimeric capsule [(1,4-dioxane)3@1(2)(I2)2]. The dimeric capsule is constructed solely through halogen bonds and has a single cavity (V=511 Å(3)) large enough to encapsulate three 1,4-dioxane guest molecules.
COMMUNICATION. OBSERVATIONS ON THE 121-Sb MÖSSBAUER PARAMETERS OF ANTIMONY (III) COMPOUNDS FEATURING A PYRAMIDAL SbS3SKELETAL UNIT
1991
Abstract A linear correlation between the chemical isomer shift and the quadrupole coupling constant for a number of antimony tris-thiolates has been evidenced. This behaviour can be rationalized on considering a modulation of the s/p character of the lone pair of electrons from the influence of secondary bonds.
Muscimol hydration and vibrational spectroscopy – The impact of explicit and implicit water
2022
The presented study focuses on the interaction of the well-known neurotoxin muscimol with water. Two approaches for the water solvent are applied – the explicit and the implicit. The muscimol-water clusters were obtained by the molecular dynamics simulations and the first solvation shell was kept for further studies. Implicit water was mimicked via the polarized continuum model (PCM). All three tautomeric forms of the free muscimol molecule are considered in the calculations. The combined theoretical and experimental vibrational IR and Raman studies determined the stability of the prevailing zwitterion form in water. We proved that water molecules in the first solvation shell are crucial fo…
A model for designing callable bonds and its solution using tabu search
1997
Abstract We formulate the problem of designing callable bonds as a non-linear, global, optimization problem. The data of the model are obtained from simulations of holding-period returns of a given bond design, which are used to compute a certainty equivalent return, viz., some target assets. The design specifications of the callable bond are then adjusted so that the certainty equivalent return is maximized. The resulting problem is multi-modal, and a tabu search procedure, implemented on a distributed network of workstations, is used to optimize the bond design. The model is compared with the classical portfolio immunization model, and the tabu search solution technique is compared with s…
Metal-bound Nitrate Anion as an Acceptor for Halogen Bonds in mono-Halopyridine-Copper(II) nitrate Complexes
2019
Fifteen n-halopyridine-Cu(NO3)2 complexes (n = 2, 3, 4) obtained from two different solvents, acetonitrile and ethanol, are investigated for C–X···O–N halogen bonds (XBs) in the solid state by single and powder X-ray diffraction. The nitrate anions bind copper(II) via anisobidentate modes and one of three oxygens act as an XB acceptor to halogens on the core pyridine rings. The N-metal coordination activates the electron-deficient π-system and triggers even C2- and C4-chlorines in the corresponding [Cu(2-chloropyridine)2(NO3)2] and [Cu(4-chloropyridine)2(NO3)2(ACN)] complexes to form short C–Cl2/Cl4···O–N halogen bonds. Notably, the C2–Cl2···O–N XBs with a normalized XB distance parameter (…
[N⋅⋅⋅I+⋅⋅⋅N] Halogen-Bonded Dimeric Capsules from Tetrakis(3-pyridyl)ethylene Cavitands
2016
Two [N⋅⋅⋅I+⋅⋅⋅N] halogen-bonded dimeric capsules using tetrakis(3-pyridyl)ethylene cavitands with different lower rim alkyl chains are synthesized and analyzed in solution and the gas phase. These first examples of symmetrical dimeric capsules making use of the iodonium ion (I+) as the main connecting module are characterized by 1H NMR spectroscopy, diffusion ordered NMR spectroscopy (DOSY), electrospray ionization mass spectrometry (ESI-MS), and ion mobility-mass spectrometry (TW-IMS) experiments. The synthesis and effective halogen-bonded dimerization proceeds through analogous dimeric capsules with [N⋅⋅⋅Ag+⋅⋅⋅N] binding motifs as the intermediates as evidenced by the X-ray structures of …
A glimpse of the limits of the European economic governance through the legislative and jurisprudential route of the "after-Weimar" German "economic …
2020
El objetivo de esta investigación es reconstruir los límites de la gestión de las finanzas públicas en la Unión Monetaria Europea, utilizando la perspectiva del camino de la "constitución económica" alemana posterior a Weimar. El proceso federativo de la UE no presenta las mismas características legales de ningún otro, incluido el alemán. Sin embargo, algunos problemas son necesariamente similares y similares soluciones se pueden encontrar. En consecuencia, esto documento se centra en la sucesión de reformas en la governance económica europea desde 2008 analizando, en particular, el tema de compartir las obligaciones de la deuda a nivel europeo, esto a través del diálogo entre el Bundesverf…
Interdependence between Green Financial Instruments and Major Conventional Assets: A Wavelet-Based Network Analysis
2021
This paper examines the interdependence between green financial instruments, represented by green bonds and green stocks, and a set of major conventional assets, such as Treasury, investment-grade and high-yield corporate bonds, general stocks, crude oil, and gold. To that end, a novel wavelet-based network approach that allows for assessing the degree of interconnection between green financial products and traditional asset classes across different investment horizons is applied. The empirical results show that green bonds are tightly linked to Treasury and investment-grade corporate bonds, while green stocks are strongly tied to general stocks, regardless of the specific time period and i…
Projekts: Uzņēmuma "Jumis Finances" dibināšana
2017
Maģistra darba mērķis ir izstrādāt jauna uzņēmuma dibināšanas plānu un biznesa plānu trim darbības gadiem. Maģistra darba gaitā darba autors izstrādāja un novērtēja izveidojamā uzņēmuma „Jumis Finances” dibināšanas plānu un biznesa plānu trim pirmajiem darbības gadiem. Projekta mērķis – dibināt neatkarīgu uzņēmumu, kas nodarbosies ar vērtspapīru individuālu portfeļu izstrādi un konsultāciju sniegšanu. Darbs izklāstīts uz 101 lapām un iekļauj izmantotās literatūras un citu informācijas avotu 46 nosaukumus, 26 tabulas, un17 attēlus. Darba pētīšanas metodes: statistiskā analīze, grafiskā analīze, vertikāla analīze, SVID analīze, riska matrica.