Reactividad Química a Dos Estados: Algunos Ejemplos en Química Orgánica, Inorgánica y Organometálica
Metadatos
Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/29747
comunitat-uji-handle3:10234/162758
comunitat-uji-handle4:
TESISMetadatos
Título
Reactividad Química a Dos Estados: Algunos Ejemplos en Química Orgánica, Inorgánica y OrganometálicaDirector/a
Andrés Bort, Juan ManuelÓrgano responsable
Universitat Jaume I. Departament de Química Física i AnalíticaFecha de defensa
2011-04-12Editor
Universitat Jaume IPalabras clave
Área de conocimiento
Páginas
256 p.;Resumen
A variety of chemical phenomena are governed by transitions at crossing
points of potential energy surfaces of electronic states with different spin
multiplicities, if not directly, but indirectly in the midst of ... [+]
A variety of chemical phenomena are governed by transitions at crossing
points of potential energy surfaces of electronic states with different spin
multiplicities, if not directly, but indirectly in the midst of the processes. In other
words, this intercrossing transition makes one of the most significant key
mechanisms in chemical reactivity. Since the basic theory is now available to treat
the transitions with appropriate theoretical methods and techniques, it is possible to
comprehend the chemical reactivity of chemical systems, ranging from organic,
inorganic, as well as realistic model systems of chemical processes in heterogeneous
catalysis with the effects of transitions taken into account properly. Furthermore, it
becomes feasible to control chemical reactivity by controlling the transitions at
crossing points, and also to develop new molecular functions by using peculiar
properties of non-adiabatic transitions. These may be realized, if we apply
appropriately designed laser fields. This Ph.D. Thesis is focused on the above
mentioned ideas based on the authors’ recent publications. In particular, we have
considered three areas where TSR mechanisms appear. We present examples of
TSR in organic, organometallic and inorganic chemistry. In organic chemistry, the
study of the thermal ring opening rearrangement of 1H-bicyclo[3.1.0]hexa-3,5-dien2-one has been carried out. In organometallic chemistry have been focused on the
framework of the heterogeneous catalysis, in particular, on the selective oxidation of
methanol to formaldehyde on supported and hydrated vanadium oxides, and also
the dehydrogenation of methanol on supported reduced vanadium oxides. Finally,
the examples in inorganic chemistry involve the oxidation of H2 by means of MO2
oxides (M=Ti, Zr, Hf). Thus, the non-adiabatic chemical reactivity is expected to
open a new dimension of Chemistry. [-]
Derechos de acceso
ADVERTIMENT. Tots els drets reservats. L'accés als continguts d'aquesta tesi doctoral i la seva utilització ha de respectar els drets de la persona autora. Pot ser utilitzada per a consulta o estudi personal, així com en activitats o materials d'investigació i docència en els termes establerts a l'art. 32 del Text Refós de la Llei de Propietat Intel·lectual (RDL 1/1996). Per altres utilitzacions es requereix l'autorització prèvia i expressa de la persona autora. En qualsevol cas, en la utilització dels seus continguts caldrà indicar de forma clara el nom i cognoms de la persona autora i el títol de la tesi doctoral. No s'autoritza la seva reproducció o altres formes d'explotació efectuades amb finalitats de lucre ni la seva comunicació pública des d'un lloc aliè al servei TDX. Tampoc s'autoritza la presentació del seu contingut en una finestra o marc aliè a TDX (framing). Aquesta reserva de drets afecta tant als continguts de la tesi com als seus resums i índexs.
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info:eu-repo/semantics/openAccess
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