P1-H: Femti år
med organisk kjemi på NTH, Trondheim 1910-1960
Elisabeth Jacobsen
P2-Ka:
Computational study of zeolite dealumination
and formation of silanol nests
Stian
Svelle, University of Oslo
P3-Ka:
H-SAPO-5 as model catalyst in
methanol-to-hydrocarbons (MTH) research: Does lower acid strength cause
a shift
in olefin formation mechanisms?
Marius
Westgård Erichsen, University of
Oslo
P4-Ka:
Investigation of Reaction Network in Ethanol
Steam Reforming over Ni/Mg-Al Catalyst: The Intermediates
Guangming
Zeng, University of Oslo
P5-Ka:
Synthesis and characterization of
platinum-containing UiO-67 Zr-based metal organic framework
Sigurd
Øien, University of Oslo
P6-Ka:
Zeolite membranes for selective CO2-separation
Nelli
Pfaff, University of Oslo
P7-Ka:
A study of chain termination and propagation
on 20%Co/CNT Fischer Tropsch catalyst
Jia
Yang, NTNU
P8-Ka:
Two step low temperature methanol synthesis
Klaus-J.Jens, Høgskolen i Telemark
P9-Ka:
Synthetic Methods in Gold(III) Chemistry
Eirin
Langseth, University of Oslo
P10-Km:
A systematic approach to the calculation of
Rydberg states
Clemens
Woywod, University of Tromso,
Chemistry Department, CTCC
P11-Km:
First principles theory for the material
constants
Anelli
Marco, University of Tromsø
P12-O:
Carotenoid as antireductants
Muhammad
Zeeshan, Institute of
Chemistry, Norwegian University of Science and Technology (NTNU)
P13-O:
Synthesis of longest polyene with 27 double
bonds
Muhammad
Zeeshan, Institute of
Chemistry, Norwegian University of Science and Technology (NTNU)
P14: Faggruppe
for kjemiundervisning - Norsk kjemilærerforening
Kirsten Fiskum, Nasjonalt senter for naturfag
i opplæringen -
Naturfagsenteret
P15: Kjemifestival
Norsk Teknisk Museum/Universitetet i Oslo
Femti år med
organisk kjemi på NTH, Trondheim 1910-1960
Elisabeth Jacobsen
P2-Ka
Computational
study of zeolite dealumination and
formation of silanol nests
Stian
Svelle
University
of Oslo
Zeolites
are porous catalytic materials
- marvelous for the needs of petrochemical industry. In zeolites,
aluminum will
form both framework Brønsted and extra-framework Lewis acid
sites and is thus
responsible for the catalytic behavior of the material. Importantly,
the
distribution and density of the acid sites can be guided by steaming at
high
temperature, under which hydration reactions weaken the bonding between
aluminum and the framework, eventually leading to the detachment of
atoms
creating vacancies like silanol nests. This process is referred to as
dealumination, and plays a pivotal role in the practical application of
zeolites as catalysts. For example, zeolite Y, which is employed in the
catalytic cracking of heavy oil fractions, is typically dealuminated by
steaming to reduce the density of acid sites before application.
Herein, we
present a detailed reaction mechanism for the dealumination process.
The
results are compared to the analogous process where silicon is removed
from the
framework (desilication).
P3-Ka
H-SAPO-5
as model catalyst in
methanol-to-hydrocarbons (MTH) research: Does lower acid strength cause
a shift
in olefin formation mechanisms?
Marius
Westgård Erichsen
University
of
Oslo
As
world oil reserves are decreasing,
interest in utilisation of alternative feedstocks, such as natural gas
and
biomass, for production of petrochemicals is increasing. The conversion
of
methanol to hydrocarbons (MTH) represent a family of flexible processes
for
production of either light olefins or gasoline, depending on catalyst
used and
conditions employed. As methanol production from a variety of sources
is well
established, commercial interest in its conversion to higher value
products is
on the rise. A key issue in this family of processes, as in other
catalytic
processes, is product selectivity. While a large number of products can
be
produced from methanol over acidic catalysts, tuning the process to
provide
only a select group of products is highly desirable. This requires a
high
degree of insight into the reaction mechanisms and how it correlates
with
catalyst parameters. It has previously been found that MTH is an
autocatalytic
reaction. Olefin formation from methanol in wide-pore zeolites proceeds
via
continuous addition of methanol to an adsorbed pool of hydrocarbons,
and
subsequent elimination of olefins. In previously studied wide-pore
zeolites,
the dominant hydrocarbon pool species have been identified as
methylbenzenes.
In the present study, a wide-pore H-SAPO-5 material has been studied as
an MTH
catalyst. While co-feeding of benzene and methanol showed that some
olefins can
be produced from methylbenzene intermediates, transient isotopic
labelling
studies indicated that the reaction mechanism in this catalyst is
shifted in
favour of an alkene-based hydrocarbon pool. These findings hint at a
significant shift in reaction mechanism when the acid strength of the
catalyst
is decreased, providing a vital piece for unravelling the puzzle of
methanol
conversion mechanisms over acidic catalysts.
P4-Ka
Investigation
of Reaction Network in Ethanol Steam
Reforming over Ni/Mg-Al Catalyst: The Intermediates
Guangming
Zeng
University
of Oslo
P5-Ka
Synthesis
and characterization of platinum-containing UiO-67 Zr-based metal
organic
framework
Sigurd
Øien
University
of Oslo
P6-Ka
Zeolite
membranes for selective CO2-separation
Nelli
Pfaff
University
of Oslo
P7-Ka
A
study of chain termination and
propagation on 20%Co/CNT Fischer Tropsch catalyst
Jia
Yang
NTNU
Fischer-Tropsch
Synthesis aims at
converting syngas to clean liquid fuel and therefore requires catalysts
with
high C5+ selectivity. At industry conditions, the C5+ selectivity may
be
influenced by several parameters due to the presence of liquid phases,
for
instance, α-olefin re-adsorption, diffusion effect for
reactants and products
and water partial pressure etc. [1-2] To study the intrinsic chain
propagation/termination probability without the influence of above
mentioned
parameters, a catalyst consisting of 20%Co supported on carbon
nanotubes (CNT)
with a cobalt particle size at around 18 nm was chosen and tested under
methanation conditions. The mechanism of chain initiation, propagation
and
termination will be analyzed, and the chain growth intermediates will
be
specially addressed.
P8-Ka
Two
step low temperature methanol synthesis
Klaus-J. Jens
Høgskolen i Telemark
Methanol
has been considered as one of
the promising alternative fuels to petroleum[1]. Current methanol
synthesis is
the second largest scale process world-wide involving catalysis at high
pressure and temperature. Methanol synthesis at low temperature would
allow the
process to be operated at
lower pressure[2].
Low temperature methanol synthesis (LTMS) is reported for two catalyst
systems,
Ni carbonyl and Raney Ni based[3-5] and Cu chromite based[6]. LTMS
based on
biomass derived syn-gas feedstock requires the catalyst to be stable in
the
presence of feedstock byproducts such as water. This project is
focusing on
exploratory research to find water resistant LTMS catalyst. So far this
target
has not been reached. The LTMS reaction which proceeds through
synthesis of
Methyl formate (MF) as an intermediate employs alkali alkoxide as a
catalyst in
the first carbonylation step. Trial reactions based on Ni(CO)4 and
Raney copper
have been performed. Since Ni(CO)4 is very poisonous, we have set-up a
closed
system synthesizing Ni(CO)4 in situ using NiSO4 as precursor[7].
Another system
based on Raney copper[8] is being investigated for hydrogenation of MF
to
methanol. Key words: low temperature methanol synthesis; Ni(CO)4; Raney
copper;
alkali alkoxide
P9-Ka
Synthetic
Methods in Gold(III)
Chemistry
Eirin
Langseth
University
of
Oslo
The
interest in organo-gold compounds
continues to grow. Gold(III) complexes are being investigated as
catalysts for
organic transformations as well as tested as potential anti-cancer
drugs
[Arcadi Chem. Rev. 2008, 108, 3266, Gabbiani, Casini, Messori Gold
Bulletin
2007, 40, 73]. Despite this wide-ranging interest in the properties of
such
complexes, the synthetic methods for preparing them are underdeveloped.
AuCl2(tpy)
(tpy=2-(4'-tolyl)pyridine) is an example of a compound that previously
required
the use of an organomercury reagent to achieve an acceptable yield with
respect
to gold [Parish, Wright, Pritchard J. Organomet. Chem. 2000, 596, 165].
Several
gold(III) complexes with different bipyridine and pyridine ligands have
now
been prepared in our group using microwave heating and mercury-free
conditions
[Shaw, Tilset, Heyn, Jakobsen J. Coord. Chem. 2011, Accepted, Shaw,
Ghosh,
Törnroos, Wragg, Tilset, Swang, Heyn, Jakobsen Submitted].
P10-Km
A
systematic approach to the calculation of Rydberg
states
Clemens
Woywod
University
of Tromso, Chemistry
Department, CTCC
The
description of Rydberg states by the
complete active space self-consistent field (CASSCF) electronic
structure
method is known to be a tricky business. In particular two problems are
frequently encountered: (1) The simultaneous presence of valence and
Rydberg
excited states in the same energy region can potentially lead to
artificial
valence-Rydberg mixing in the electronic wave functions. (2) Rydberg
states
have a tendency to be difficult to converge. A successful wave function
optimization requires a good starting guess and a well defined active
orbital
space. On the energy surface spanned by the configuration interaction
(CI) and
molecular orbital (MO) parameters, a Rydberg state often corresponds to
a
pronounced, but highly localized minimum. Therefore, in many cases the
Rydberg
orbitals will be undesirably eliminated from the active space during
the CASSCF
iterations. Only if the initial wave function represents a sufficiently
good
approximation of the target state and if the correct Rydberg functions
are
included in the active space will the designated solution be obtained.
The
questions are now how to provide an accurate starting wave function and
how to
derive the information for a selection of the active orbitals. A newly
developed systematic approach for a consistent description of both
valence and
Rydberg excited states within the CASSCF electronic structure model is
presented. By employing multiconfigurational second- and third-order
perturbation theory methods based on CASSCF reference wave functions,
the
procedure is verified by comparison with spectroscopic results for the
example
molecules pyrazine [1], pyridine and butadiene. Particular attention is
paid
the to the relevance of valence excitations for the description of
Rydberg
states.
P11-Km
First
principles theory for the
material constants
Anelli
Marco
University
of
Tromsø
The
interactions between matter and
electromagnetic fields are commonly analyzed using the constitutive
relations,
which relate the applied electric and magnetic fields (E,B) to the
response
fields (D,H) through the material constants. Therefore, material
constants
(also known as constitutive tensors) describe the response of the
matter to the
external fields. In the case of a static perturbation, material
constants are
observable/measurable quantities, and they can been defined using
multipole
theory. In contrast, when a dynamic field is considered, multipole
theory leads
to origin-dependent expressions for the material constants, and thus do
not
correspond to physically acceptable observable quantities. There is
therefore a
need for origin-independent definitions of the material constants.
Origin-independent expressions of the material constants have been
derived by
Raab and de Lange applying a transformed multipole theory. They have
also
derived expressions for the material constants based on a covariant
formulation
of the constitutive relations. Both these theories provide expressions
of the
material constants which are covariant, origin-independent and preserve
the
spatial invariance of the wave equations. In the dynamic case, a unique
definitions of the material constants still do not exist, and the
possibility
of deriving unique definitions for these quantities is still
unresolved. We
will discuss our recent analysis of the problem, focusing on the pure
electric
and magnetic material constants, namely the electric permittivity and
the
inverse permeability. In particular, we will provide arguments in order
to
distinguish between the two possible definitions of the material
constants
proposed so far. An important part of our analysis will be how to
relate the
material constants to well-known measurable quantities. We propose that
the
absorption coefficient and the scattering amplitude, as defined in QED,
can be
expressed in terms of the electric permittivity, consistently with the
definition provided by transformed multipole theory.
P12-O
Carotenoid
as antireductants
Muhammad
Zeeshan
Institute
of Chemistry, Norwegian
University of Science and Technology (NTNU)
The
electron-rich carotenoids are prime
examples for their electron donor property to reactive radicals. The
reverse
reaction, the uptake of electrons by Car, has not yet been observed in
nature
and is difficult to perform in the laboratory. Cyclic polyenes easily
take up
electrons (Birch reduction), but chain polyenes resist in electron
transfer
reactions. Carotenoids were forced to take up electrons by difficult
chemical
procedures (Na in high vacuum) or with methods requiring special
instruments
(electrochemistry, flash photolysis, pulse radiolysis). Nevertheless,
it has
been predicted theoretically that carotenoids could act favorably as
electron
acceptors. Recently, crocetindial has been reacted in a simple
procedure with
the electron donator alkaline DMSO = H3C(S=O)CH2– =
DMSO– [1]. An immediate
two-electron uptake reaction to crocetin dienolate was observed by a
color
change to blue. We
present now the
synthesis of a series of dialdehydes (C10:3 to C50:19) and describe
their
electron uptake properties with regard to the chain length. Carbonyl
carotenoids, like any other carotenoid, may act as antioxidants by
releasing
electrons. We demonstrate that carbonyl carotenoids also easily accept
electrons; therefore, these carotenoids react as antireductants. Acknowledgments: This project is
financially supported by the
Higher Education Commission Pakistan (HEC) and the Norwegian Centre for
International Cooperation in Higher Education (SIU).
P13-O
Synthesis
of longest polyene with 27 double bonds
Muhammad
Zeeshan
Institute
of Chemistry, Norwegian
University of Science and Technology (NTNU)
Most
carotenoids have 11 C=C bonds; the
natural maxima is reached with 14 C=C bonds. Notwithstanding extending
the
π-system by increasing the number of double bonds beyond the
natural boundary
is a goal for theoretical and practical consideration. The
λmax of polyenes
increase asymptotically to the limiting value λ∞;
in spite of many calculations
λ∞ is still unknown. Polymer polyenes only show a
partial conjugation of double
bonds. Synthetic chain elongation is therefore the only way to sustain
molecular calculations. The
synthesis of
long-chain carotenoids under classical Wittig conditions is always
accompanied
with substantial decomposition. The purity of previously synthesized
C60:19 can
be questioned [1], a supposed C70:23 carotenoid decomposed at low
temperatures
under argon [2]. It is therefore likely that the limit for the
classical
carotenoid syntheses is reached with C60 or C70.
We have now found that the synthesis of long
chain carotenoids can substantially be improved, when the Wittig
reaction is
performed under microwave irradiation. The microwave variant of the
Wittig
reaction allowed us to synthesize the longest carotenoid ever
synthesized, the
zeaxanthin derivate C80 with 27 double bonds. The synthesis, purity and
spectroscopic properties of the zeaxanthin series will be presented
from
natural C40 to C50, C60, C70 and ultimate C80.
P14
Faggruppe for
kjemiundervisning - Norsk kjemilærerforening
Kirsten Fiskum
Nasjonalt senter for naturfag i
opplæringen - Naturfagsenteret
For å styrke kjemifaget i norsk
skole ønsker vi å etablere
"Faggruppe for kjemiundervisning". Vårt mål er at
dette skal bli en
faggruppe i Norsk kjemisk selskap der hovedmålgruppen er de
som er interesserte
i formidling av kjemi.
P15
Kjemifestival
Kjemiåret
Norsk Teknisk Museum/Universitetet i Oslo
Fra 21.-29. november avholdes det
Kjemifestival på Teknisk Museum i
Oslo. Arrangementet er et samarbeid mellom Kjemiåret og
Teknisk Museum, med
finansiell støtte fra Forskningsrådet. I
løpet av festivalen vil det avholdes
et stort antall ulike aktiviteter myntet på skoleklasser,
barnefamilier og
generelt publikum.