61 research outputs found
Análisis comparativo del uso de las tecnologías de la información y comunicación (TIC), en la gestión empresarial de los hoteles ubicados en la ciudad de Estelí, Nicaragua entre los años 2008 y 2016
La presente investigación está dirigida al análisis de las Tecnologías de Información y Comunicación (TIC) en la gestión hotelera de los hoteles de la ciudad de Estelí, utilizando como referente un estudio realizado en 2008 y comparando resultados con el año 2016, es un estudio de tipo cuantitativo, se aplicaron 19 encuestas a gerentes, administradores de los hoteles y entrevistas para complementar los análisis estadísticos. Como resultado se encontró que hay cambios significativos en la implementación de nuevas tecnologías como: la incorporación de nuevos equipos tecnológicos (hardware), e incremento de programas (software) específicos para hoteles. El 30% de los encuestados afirmó que la principal limitante es la falta de capacitación y el 28% indica que los altos costos para incorporar las TIC, encontrando diferencia en las dificultades entre los dos años. La hipótesis planteada se acepta en un 84% las TIC han provocado cambios en la gestión empresarial y el uso de tecnología está dirigido al marketing de los hoteles a través del internet. Se proponen seis líneas estratégicas para la mejora del uso de las TIC
Silylium Ion/Phosphane Lewis Pairs
The reactivity of a series of silylium ion/phosphane Lewis pairs
was studied. Triarylsilylium borates <b>4</b>[B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>] form frustrated Lewis pairs (FLPs)
of moderate stability with sterically hindered phosphanes <b>2</b>. Some of these FLPs are able to cleave dihydrogen under ambient
conditions. The combination of bulky trialkylphosphanes with triarylsilylium
ions can be used to sequester CO<sub>2</sub> in the form of silylacylphosphonium
ions <b>12</b>. The ability to activate molecular hydrogen by
reaction of silylium ion/phosphane Lewis pairs is dominated by thermodynamic
and steric factors. For a given silylium ion increasing proton affinity
and increasing steric hindrance of the phosphane proved to be beneficial.
Nevertheless, excessive steric hindrance leads to a breakdown of the
dihydrogen-splitting activity of a silylium/phosphane Lewis pair
Colorless Chlorophyll Catabolites in Senescent Florets of Broccoli (Brassica oleracea var. <i>italica</i>)
Typical postharvest storage of broccoli
(Brassica
oleracea var. <i>italica</i>) causes degreening
of this common vegetable with visible loss of chlorophyll (Chl). As
shown here, colorless Chl-catabolites are generated. In fresh extracts
of degreening florets of broccoli, three colorless tetrapyrrolic Chl-catabolites
accumulated and were detected by high performance liquid chromatography
(HPLC): two “nonfluorescent” Chl-catabolites (NCCs),
provisionally named <i>Bo</i>-NCC-1 and <i>Bo</i>-NCC-2, and a colorless 1,19-dioxobilin-type “nonfluorescent”
Chl-catabolite (DNCC), named <i>Bo</i>-DNCC. Analysis by
nuclear magnetic resonance spectroscopy and mass spectrometry of these
three linear tetrapyrroles revealed their structures. In combination
with a comparison of their HPL-chromatographic properties, this allowed
their identification with three known catabolites from two other brassicacea,
namely two NCCs from oil seed rape (Brassica napus) and a DNCC from degreened leaves of Arabidopsis
thaliana
Quantitative Assessment of the Lewis Acidity of Silylium Ions
The Lewis acidity of several aryl-substituted
tetrylium ions was
classified experimentally by applying the Gutmann–Beckett method
and computationally by calculation of fluoride ion affinities (FIA)
(tetrel elements = Si, Ge). According to these measures, tetrylium
ions are significantly more Lewis acidic than boranes, and aryl-substituted
silylium borates are among the strongest isolable Lewis acids. A fine-tuning
of the Lewis acidity of silylium ions is possible by taking advantage
of electronic and/or steric substituent effects
Hafnocene-based Bicyclo[2.1.1]hexene Germylenes – Formation, Reactivity, and Structural Flexibility
2,5-Disilylsubstituted
germole dianions <b>1</b> react with
hafnocene dichloride to give hafnocene-based bicyclo[2.1.1]hexene
germylenes <b>3</b>. Their formation proceeds via hafnocene-germylene
complexes <b>2</b> that were identified by NMR and UV spectroscopy.
Germylenes <b>3</b> are stabilized by homoconjugation between
the empty 4p(Ge) orbital and the π-bond of the innercyclic C<sup>2</sup>C<sup>3</sup> double bond. This interaction can be
understood as σ<sup>2</sup>, π-coordination of the butadiene
part to the dicoordinated germanium atom that leaves the 16e<sup>–</sup> hafnocene moiety electronically unsaturated. We demonstrate that
this new class of germylenes might serve as ligand to a variety of
low-valent transition-metal complexes. The structure of the germylene
ligand in complexes with Fe(0), Ni(0), and Au(I) and in reaction products
with N-heterocyclic carbenes showed an intriguing structural flexibility
that allows to accommodate different electronic situations at the
ligating germanium atom. The origin of this structural adaptability
is the interplay between the topological flexible unsaturated germanium
ring and the hafnocene group
Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes
The terphenyl-substituted
dibenzosilanorbornadienyl cation <b>11</b> was synthesized and
isolated in the form of its [B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>]<sup>−</sup> salt. The salt
was characterized by NMR spectroscopy supported by quantum mechanical
computations and by an XRD analysis of a corresponding acetonitrilium
salt. The thermal fragmentation of <b>11</b>[B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>] in benzene results in the high-yield
formation of diphenylterphenylsilylium borate <b>17</b>[B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>]. High-lying intermediates in this
process are solvent-complexed terphenylsilyliumylidene <b>8</b> and the hydrogen- and phenyl-substituted silylium ion <b>20</b>. The formation of silylium ion <b>20</b> by reaction of silyliumylidene <b>8</b> with the solvent benzene demonstrates the high potential
of this four valence electron species in C–H bond activation
reactions. In addition, the instability of the hydrogen-substituted
silylium ion <b>20</b> in benzene opens new mechanistic perspectives
particular for dihydrogen activation by silyl cationic frustrated
Lewis pairs and in general for the dihydrogen activation by strong
Lewis acids
Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes
The terphenyl-substituted
dibenzosilanorbornadienyl cation <b>11</b> was synthesized and
isolated in the form of its [B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>]<sup>−</sup> salt. The salt
was characterized by NMR spectroscopy supported by quantum mechanical
computations and by an XRD analysis of a corresponding acetonitrilium
salt. The thermal fragmentation of <b>11</b>[B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>] in benzene results in the high-yield
formation of diphenylterphenylsilylium borate <b>17</b>[B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>]. High-lying intermediates in this
process are solvent-complexed terphenylsilyliumylidene <b>8</b> and the hydrogen- and phenyl-substituted silylium ion <b>20</b>. The formation of silylium ion <b>20</b> by reaction of silyliumylidene <b>8</b> with the solvent benzene demonstrates the high potential
of this four valence electron species in C–H bond activation
reactions. In addition, the instability of the hydrogen-substituted
silylium ion <b>20</b> in benzene opens new mechanistic perspectives
particular for dihydrogen activation by silyl cationic frustrated
Lewis pairs and in general for the dihydrogen activation by strong
Lewis acids
Activation of 7‑Silanorbornadienes by N‑Heterocyclic Carbenes: A Selective Way to N‑Heterocyclic-Carbene-Stabilized Silylenes
The synthesis of
hydridosilylenes Ter(H)Si: <b>3a</b> (Ter:
2,6-bis(2,4,6-trimethylphenyl)phenyl) and Ter*(H)Si: <b>3b</b> (Ter*: 2,6-bis(2,4,6-tri<i>iso-</i>propylphenyl)phenyl)
stabilized by the N-heterocyclic carbene (NHC) ImMe<sub>4</sub> is
reported. The synthesis of stabilized hydridosilylenes <b>3</b> was accomplished by a previously unknown NHC-induced fragmentation
of silanorbornadiene derivatives. Structural studies of the stabilized
silylenes <b>3</b> and of its Fe(CO)<sub>4</sub> complex <b>12</b> accompanied by a theoretical analysis of their bonding
situation indicate that stabilized silylenes such as <b>3</b> can be regarded as neutral silyl anion equivalents. A computational
investigation of the reaction course indicate a virtual one-step reaction
between the NHC and the silanorbornadiene. A theoretical assessment
of the scope and limitations of this reaction suggests that it is
general and can be used also for the synthesis of other carbene analogues
such as germylenes and phosphinidenes
Activation of 7‑Silanorbornadienes by N‑Heterocyclic Carbenes: A Selective Way to N‑Heterocyclic-Carbene-Stabilized Silylenes
The synthesis of
hydridosilylenes Ter(H)Si: <b>3a</b> (Ter:
2,6-bis(2,4,6-trimethylphenyl)phenyl) and Ter*(H)Si: <b>3b</b> (Ter*: 2,6-bis(2,4,6-tri<i>iso-</i>propylphenyl)phenyl)
stabilized by the N-heterocyclic carbene (NHC) ImMe<sub>4</sub> is
reported. The synthesis of stabilized hydridosilylenes <b>3</b> was accomplished by a previously unknown NHC-induced fragmentation
of silanorbornadiene derivatives. Structural studies of the stabilized
silylenes <b>3</b> and of its Fe(CO)<sub>4</sub> complex <b>12</b> accompanied by a theoretical analysis of their bonding
situation indicate that stabilized silylenes such as <b>3</b> can be regarded as neutral silyl anion equivalents. A computational
investigation of the reaction course indicate a virtual one-step reaction
between the NHC and the silanorbornadiene. A theoretical assessment
of the scope and limitations of this reaction suggests that it is
general and can be used also for the synthesis of other carbene analogues
such as germylenes and phosphinidenes
Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, <i>p</i>‑Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study
In
this work, two different classes of polyaromatic hydrocarbon
(PAH) systems have been investigated in order to characterize the
amount of polyradical character and to localize the specific regions
of chemical reactivity: (a) the non-Kekulé triangular structures
phenalenyl, triangulene and a π-extended triangulene system
with high-spin ground state and (b) PAHs based on zethrenes, <i>p</i>-quinodimethane-linked bisphenalenyl, and the Clar goblet
containing varying polyradical character in their singlet ground state.
The first class of structures already have open-shell character because
of their high-spin ground state, which follows from the bonding pattern,
whereas for the second class the open-shell character is generated
either because of the competition between the closed-shell quinoid
Kekulé and the open-shell singlet biradical resonance structures
or the topology of the π-electron arrangement of the non-Kekulé
form. High-level ab initio calculations based on multireference theory
have been carried out to compute singlet–triplet splitting
for the above-listed compounds and to provide insight into their chemical
reactivity based on the polyradical character by means of unpaired
densities. Unrestricted density functional theory and Hartree–Fock
calculations have been performed for comparison also in order to obtain
better insight into their applicability to these types of complicated
radical systems
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