SVIBOR - Papers quoted in CC - project code: 1-07-139
MINISTRY OF SCIENCE AND TECHNOLOGY
Strossmayerov trg 4, HR - 10000 ZAGREB
tel.: +385 1 459 44 44, fax: +385 1 459 44 69
E-mail: ured@znanost.hr
SVIBOR - Collecting Data on Projects in Croatia
Papers quoted in Current Contents on project 1-07-139
Quoted papers: 36
Other papers: 91
Total: 127
Title: On the Models for Deuterium Long-Range Isotope Effects in
13C NMR Spectroscopy
- Authors:
- Vikić-Topić, Dražen (71183)
- Khetrapal, C.L.
- Christie, G.R.
- Sandor, P.
- Meić, Zlatko (30321)
Journal: J. Math. Chem
ISSN: 0259-9791
Volume: 8
Year: 1991
Pages: from 185 to 192
Language: engleski
Summary: The long-range deuterium isotope effects on 13C nuclear
shielding are physically not yet completely understood. Two existing models
for explaining these effects, vibrational and substituent, are compared
here. The vibrational model is based on the Born-Oppenheimer approximation,
but it can explain only one-bond deuterium effects. To the contrary, the
substituent model may explain many long-range isotope effects, but it is
controversial due to the assumption of some distinct electronic properties
of isotopes. We explain how long-range deuterium isotope effects may be
rationalized by the subtle electronic changes induced by isotope
sustitution, which does not violate the Born-Oppenheimer approximation.
Title: Vibrational Spectra of para-Disubstituted Benzophenones
- Authors:
- Volovšek, V.
- Baranović, Goran (2046)
- Colombo, Lidija (7033)
- Durig, J.R.
Journal: J. Raman Spectr.
ISSN: 0377-0486
Volume: 22
Year: 1991
Pages: from 35 to 41
Summary: Raman (3500-20 cm-1) and IR (400-80 cm-1) spectra of
benzophenoneand a series of its para-disubstituted derivatives
(substituents,F, Cl, Br and CH3) as melts and in solution were recorded.
Acomplete empirical assignment of the measured spectra was madeand the
indluence of para substitution on the normal modes wasinvestigated.
Title: Synthesis of 5-Alkylindole-3-acetic Acids for Use as Plant
Hormone Analogues
- Authors:
- Ilić, Nebojša
- Klaić, Branimir (21025)
- Magnus, Volker (82051)
- Vikić-Topić, Dražen (71183)
- Gacs-Baitz, E.
Journal: Croat. Chem. Acta
ISSN: 0011-1643
Volume: 64
Year: 1991
Pages: from 79 to 88
Language: engleski
Summary: 5-n-Alkyl derivatives (9-12) of the plant hormone
indol-3-aceticacid were prepared by
treating2-(4-alkylphenyl)-hydrazono-4-cyanobutyric acid ehtyl esters91-4)
with a mixture of 35% HCl, 85% H3PO4, and pyridine (3:4:1,v/v/v) at 115 oC.
The corresponding acetonitriles 95-8) wereisolated as intermediates and
characterized. Spectroscopicevidence indicates that compounds 9-12 are
suitable forinvestigating steric substituent effects on hormonal
activitywithout major interference of electronic effects.
Title: The Synthesis of Some B6 Vitamin Halophosphates
- Authors:
- Elshani, S.
- Butula, Lj.
- Butula, I.
- Vikić-Topić, Dražen (71183)
- Berton, A.
- Iriarte, A.
Journal: Croat. Chem. Acta
ISSN: 0011-1643
Volume: 64
Year: 1991
Pages: from 161 to 171
Language: engleski
Summary: A series of new halo-derivatives of pyridoxine-3-O-
or5'-O-phosphates and pyridoxal-3-O- or 5'-O-phosphates have
beensynthesized. In the reaction of partially protected pyridoxineand
pyridoxal (3-5) with phosphorusoxychloride in the presence oftriethylamine,
the following dichlorphosphates were
obtained:3,4'-O-isopropylidenepyridoxine-5'-O-dichlorophosphate
(6)4,5'-O-isobutilidenepyridoxine-3-O-dichlorophosphate (7),
andmonoethylacetal-3-O-dichlorophosphate (8).
Title: Normal Coordinate Analysis of the Halogenated
Disubstituted Benzophenones
- Authors:
- Volovšek, V.
- Baranović, Goran (2046)
- Colombo, Lidija (7033)
Journal: J. Mol. Struct.
ISSN: 0022-2860
Volume: 266
Year: 1992
Pages: from 217 to 222
Language: engleski
Summary: In a previous paper we performed systematic measurements of
the4,4'-disubstituted halogenated benzophenones1. A preliminaryassignment
of these spectra has been proposed. In the presentpaper we present the
valence force field for this group ofmolecules as well as athe final
assignment based on the normalcoordinate calculations.
Title: Long-Range Deuterium Isotope Effects in 13C NMR Spectra of
Adamantane and 2-Adamantanone
- Authors:
- Mlinarić-Majerski, Kata (27342)
- Vinković, Vladimir (71214)
- Meić, Zlatko (30321)
- Gassman, P.G.
- Chyall, L.J.
Journal: J. Mol. Struct.
ISSN: 0022-2860
Volume: 267
Year: 1992
Pages: from 389 to 394
Language: engleski
Summary: Long range deuterium isotope effects through five bonds in
theC-13 spectra of adamantane and 2-adamantanone were found. This isthe
first example effects through five bonds observed in rigidsaturated
systems.
Title: 13C NMR Spectra of Some Summetrically 2,2'-Sisubstituted
Stilbenes: Conjugational and Conformational Effects
- Authors:
- Vikić-Topić, Dražen (71183)
- Mintas, M.
- Raos, N.
Journal: J. Mol. Struct.
ISSN: 0022-2860
Volume: 267
Year: 1992
Pages: from 405 to 410
Language: engleski
Summary: In the 13C NMR spectra of symmetrically
2,2'-disubstitutedcis-stilbenes the decrease of alpha-effects and increase
ofgamma-effects at ortho-carbons with respect to trans-isomers
wereobserved. However the most significant differences in
substituenteffects between trans- and cis-isomers were found
forgamma-effects, at unsubstituted ortho-C-6 and C-4 atoms. The onebond C-H
splitting of olefinic carbons is greated in cis- thantrans-stilbenes. The
differences in substituent effects andapparent coupling constants are
assumed to originate mainly fromthe different conjugational interactions in
cis- andtrans-stilbenes. The conformational and configurtionaldifferences
of these molecules were substantiated by molecularmechanics calculations.
Title: Vibrational and NMR Spectra of Protonated
trans-N-Benzylideneanilines
- Authors:
- Meić, Zlatko (30321)
- Vikić-Topić, Dražen (71183)
- Baranović, Goran (2046)
- Žinić, Mladen (55613)
Journal: Croat. Chem. Acta
ISSN: 0011-1643
Volume: 65
Year: 1992
Pages: from 109 to 117
Language: engleski
Summary: Infrared and Raman spectra of
protonatedtrans-N-benzylideneaniline (tBA) show significant shifts
ofvibrational modes of the azomethine group as compared to theneutral form.
The most pronounced increase is due to the C=Nstretching vibration but also
the CH stretching and CH in-planedeformation appear at higher frequencies.
Similarities with anddifferences from other protonated Schiff bases are
discussed. 13CNMR spectra of protonated tBA confirm the change of
hybridizationaround the host nitrogen atom, displaying the downfield shift
ofthe imine carbon atom (increased p-content of the C=N bond) and agreater
direct carbon-hydrogen coupling constant 9increaseds-content of the CH
bond). Effects of fluorine substituted inphenyl ring(s) upon imine carbon
chemical shifts andcarbon-hydrogen coupling constants are discussed.
Title: Mechanistic Study of the Decomposition Reactions of
Azobenzene
- Authors:
- Srzić, Dunja
- Žinić, Mladen (55613)
- Meić, Zlatko (30321)
- Czira, G.
- Tamas, J.
Journal: Org. Mass Spectrom.
ISSN: 0030-493
Volume: 27
Year: 1992
Pages: from 1305 to 1310
Language: engleski
Summary: The electron impact-induced fragmentation of azobenzenes
and itsd1, d2, d5, d10 and 15N analogues was studied by massspectrometry
and ion kinetic energy spectroscopy. The mainfragment ions found in the
mass spectrum of azobenzene are due totwo parallel stepwise processes from
the molecular ion: theexpulsion of N2 and two hydrogen radicals producing
an ion at m/z152 having possibly a biphenylene radical cation structure
andloss of C6H5 and N2. Except in the elimination of two hydrogenatoms from
(M - N2)+. ions, hydrogen scrambling between thephenyl rings does not
feature in azobenzene upon electron impact.
Title: A Force Field Calculation for trans-Stilbene Ion Radicals
- Authors:
- Schneider, S.
- Scharnagl, C.
- Bug, R.
- Baranović, Goran (2046)
- Meić, Zlatko (30321)
Journal: J. Phys. Chem.
ISSN: 0022-3654
Volume: 96
Year: 1992
Pages: from 9748 to 9759
Language: engleski
Summary: Resonance Raman spectra of isotopomers (parent compound,
six symmetrically and six unsymmetrically deuterated and alpha,alpha'-13C2
derivatives) of trans-stilbene anion and cation radicals are assigned and
valence force fields calculated. The Ce=Ce stretching frequency for both
radical ions is significantly downshifted relative to its value for the
neutral molecule. The shift amounts 86 cm-1 for the parent anion radical
and about 75 cm-1 for the parent cation radical. The latter difference is,
however, less certain due to the strong mixing of group vibrations. The
force fields for anion and cation radicals are calculated within the planar
C2h model obtained from AM1 calculations and on the basis of the empirical
force field of neutral trans-stilbene.
Title: Oxohalide Complexes of Molybdenum and Tungsten with Oxygen
Donor Ligands
- Authors:
- Planinić, P.
- Meider, H.
- Yeh, H.
- Vikić-Topić, Dražen (71183)
Journal: J. Coord. Chem.
ISSN: 0095-8972
Volume: 25
Year: 1992
Pages: from 193 to 204
Language: engleski
Summary: Molybdenum(V) and (VI) and tungsten (VI) complexes of
formulae MoOX3, RPPh, Mo2X2. RPPh and MoO2X2.RPOEt, where RPPh
=bis((diphenylphosphinyl)methyl)phenylphosphine oxide and
RPOEt=bis(diphenylphosphinyl)methyl)ethyl phosphine, M = Mo or W and X =
Cl, Br or I, have been isolated. Molar condactance, magnetic
susceptibility, 1R, electronic, 1H and 31P NMR measurements are discussed.
All the complexes isolated have octahedral geometry in which the
potentially terdentate ligands are coordinated to the metal through two P=O
groups.
Title: beta-Methyl-D-Glucofururono-hydroxamic Acid, the First
Sugar-Hydroxamic Acid and Its Iron(III) Complexes in Solution
- Authors:
- Uršić, S.
- Zorc, B.
- Pilepić, V.
- Vikić-Topić, Dražen (71183)
Journal: Croat. Chem. Acta
ISSN: 0011-1643
Volume: 65
Year: 1992
Pages: from 851 to 857
Language: engleski
Summary: beta-methyl-D-glucofururonohydroxamic acid sodium salt, the
firstsugarhydroxamic acid was synthesized starting from gamma-lactoneof
beta-methyl-D-glucofuraronoside and characterized by itsphysical properties
and 13C NMR and IR spectral data.Investigation of the coordination ability
ofbeta-methyl-D-glucofururonohydroxamic acid toward the iron(III)in
solution reveals the existance of sequential complexationreactions, giving
mono-, bis- and tris-(hydroxamato)iron(III)complexes.
Title: Conformational Analysis of Azitromycin by Nuclear Magnetic
Resonance Spectroscopy and Molecular Modelling
- Authors:
- Lazarevski, G.
- Vinković, Marijana (117772)
- Kobrehel, G.
- Đokić, S.
- Metelko, Biserka
- Vikić-Topić, Dražen (71183)
Journal: Tetrahedron
ISSN: 0040-4020
Volume: 49
Year: 1993
Pages: from 721 to 730
Language: engleski
Summary: The conformation of azitromycin 1 in the solution was
determinedby NMR spectroscopy and molecular mechanics calculations
andcompared with its crystal structure and with some
erythromycinderivatives. In solution I exists predominantly in a
"folded-in"conformation in the C-3 to C-5 region, whereas its crystal
stateconformation is "folded-out".
Title: 13C Spin-Lattice Relaxation in Benzophenone ad Its
Isotopomers
- Authors:
- Vujanić, Predrag (74300)
- Meić, Zlatko (30321)
Journal: J. Mol. Struct.
ISSN: 0022-2860
Volume: 293
Year: 1993
Pages: from 163 to 166
Language: engleski
Summary: In order to analyze deuterium effects on 13C
spin-latticerelaxation time (T1) in benzophenone (BPN), five BPN
isotopomerswere prepared and their 13C NMR spectra recorded. In BPN all
thephenyl carbon atoms, except the quarternary one, arepredominantly
relaxed by the dipole-dipole mechanism due to C-Hdipole-dipole relaxation.
Other contributions to the totalspin-lattice relaxation times of individual
carbon atoms arediscussed as well. Deuteration affects also the magnitude
ofspin-lattice relaxation times. An increase in T1 by cca. 550% atthe ortho
(C2) and para (C4) carbon atoms in perdeuterated BPNhas been observed.
Title: Randomization in the Fragmentation of Benzophenone
- Authors:
- Srzić, Dunja
- Martinović, S.
- Vujanić, Predrag (74300)
- Meić, Zlatko (30321)
Journal: Rap. Commun. Mass Spectrom.
ISSN: 0951-4148
Volume: 7
Year: 1993
Pages: from 163 to 166
Language: engleski
Summary: The hydrogen and carbon randomization in the mass
spectrometricbehaviour of benzophenone has been studied by deuterium
and13C-labelling. Hydrogen scrambling is involved only in thereactions of
primary loss of hydrogen from molecular ions, aswell as in secondary
elimination of two hydrogen atoms from(M-CO)+. ions. The carbon
randomization does not feature inbenzophenone upon electron impact.
Title: Force Fields for Neutral and Protonated Schiff Bases
- Authors:
- Meić, Zlatko (30321)
- Baranović, Goran (2046)
- Šuste, Tonko
Journal: J. Mol. Struct.
ISSN: 0022-2860
Volume: 296
Year: 1993
Pages: from 163 to 171
Language: engleski
Summary: In order to analyse the vibrational dynamics of the imino
groupin its neutral and protonated forms, a normal coordinate analysisof
the model aromatic Schiff base trans-N-benzylideneaniline(tBA) was
undertaken. The results of the calculations showed adecrease in the N-Ph
stretching, but a increase in the imino C-Hand C-Ph stretching, as well as
the imino C-H in-planedeformation constants. No change in the C-H
out-of-planedeformation constant was found, but some interaction
forceconstants changed their values. Protonation of tBA brings aboutmany
changes in the vibrational spectra, probably owing to thechange in
hybridisation and mass distribution around the nitrogenatom and to the
different conformation, rather than to changes inbond lengths or counter
ion effects.
Title: Vibrational Analysis of the Benzophenone Molecule and
Influence of Its Conformation on Vibrational Transitions
- Authors:
- Volovšek, V.
- Baranović, Goran (2046)
- Colombo, Lidija (7033)
Journal: Spectrochim. Acta A
ISSN: 0584-8539
Volume: 49
Year: 1993
Pages: from 2071 to 2080
Language: engleski
Summary: IR and Raman spectra of benzophenone and several of
itsisotopomers (d5-, d10-, 13C- and 13Cd5-benzophenone) are theexperimental
basis for the normal coordinate analysis. Thepossibility of determining the
conformation of the benzophenonemolecule in solution from its vibrational
spectrum is consideredcarefully. The dihedral angle between the central
part of themolecule and the phenyl ring has been determined by fitting
thecalculated to the observed spectra. The final force field for
themolecule was obtained for the dihedral angle of 35 o.
Title: Time-Resolved and Two-Dimensional NIR FT-Raman
Spectroscopy
- Authors:
- Schrader, B.
- Baranović, Goran (2046)
- Epding, A.
- Hoffman, G.G.
- van Kan, P.J.M.
- Keller, S.
- Hildebrandt, P.
- Lehner, C.
- Sawatzki, J.
Journal: Appl. Spectr.
ISSN: 0003-7028
Volume: 47
Year: 1993
Pages: from 1452 to 1456
Language: engleski
Summary: The near-infrared Fourier transform (NIR FT) Raman
techniquepermits the measurement of Raman spectra without interference
byfluorescence. Absorption by molecules containing X-H bonds in theNIR
range requires a 180 o scattering geometry. In this way,Raman spectroscopy
of samples on surfaces is possible, both thedetecting of small spots and
the mapping of the sampledistribution over larger areas. The spatial
resolution extendsinto the micrometer range.
Title: Mercuration Products of Some Aliphatic Carboxylic Acids:
preparation and Spectral Properties. Crystal Structure of the Bipyridyl
Complex of the Nitrate of Monomercurated Propionic Acid
- Authors:
- Korpar-Čolig, B.
- Popović, Z.
- Matković-Čalogović, D.
- Vikić-Topić, Dražen (71183)
Journal: Organometallics
ISSN: 0276-7333
Volume: 12
Year: 1993
Pages: from 4708 to 4713
Language: engleski
Summary: When propionic acid is heated with mercuric propionate
thecondensation polymer of the alpha-mopnomercurated propionic acidis
obtained along with traces of the dimercurated acid. Whenn-butyric acid is
heated with mercuric n0butyrate thecondensation polymer of the
alpha-monomercurated n-butyric acidis obtained together with about a 20%
yield of the dimercuratedone. In contrast, n-valeric and isovaleric acids
are mainlydimercurated.
Title: Raman Study of the Bending Band of Water
- Authors:
- Pavlović, M.
- Baranović, Goran (2046)
- Lovreković, D.
Journal: Spectrochim. Acta A
Volume: 47
Year: 1991
Pages: from 897 to 906
Language: engleski
Title: Microwave, Infrared and Raman Spectra, Conformational
Stability, Structural Parameters, Vibrational Analysis and ab initio
Calculations for 2-Methylpropionyl Fluoride
- Authors:
- Durig, J.R.
- Guirgis, G.
- Brewer, W.E.
- Baranović, Goran (2046)
Journal: J. Phys. Chem.
Volume: 96
Year: 1992
Pages: from 7547 to 7554
Language: engleski
Title: Vibrational Spectra and Assignment, ab initio Calculations
and Normal Coordinate Analysis for 3-Methyl-3-vinyl-cyclopropene
- Authors:
- Baranović, Goran (2046)
- Eckert-Maksić, Mirjana (27544)
- Golić, Mirta (176395)
- Durig, J.R.
Journal: J. Raman Spectr.
Volume: 24
Year: 1993
Pages: from 31 to 41
Language: engleski
Title: Conformational Stability, Structural Parameters,
Vibrational Assignment and ab initio Calculations for Epifluorohydrin
- Authors:
- Badawi, H.M.
- Baranović, Goran (2046)
- Groner, P.
- Durig, J.R.
Journal: Spectrochim. Acta A
Volume: 49
Year: 1993
Pages: from 383 to 398
Language: engleski
Title: Semiempirical Scaled Force Field for Benzene
- Authors:
- Baranović, Goran (2046)
- Schrader, B.
Journal: J. Mol. Struct. (Theochem)
Volume: 306
Year: 1994
Pages: from 165 to 175
Language: engleski
Title: Vibrational States of Acenaphtylene. Linear Dichroism in
Nematic Solvent and Normal Coordinate Analysis
- Authors:
- Baranović, Goran (2046)
- Jordanov, B.
- Schrader, B.
Journal: J. Mol. Struct.
Volume: 323
Year: 1994
Pages: from 103 to 116
Language: engleski
Title: Micro and Two-dimensional NIR FT Raman Spectroscopy
- Authors:
- Schrader, B.
- Baranović, Goran (2046)
- Keller, S.
- Sawatzki, J.
Journal: Fresenius J. Anal. Chem.
Volume: 349
Year: 1994
Pages: from 4 to 10
Language: engleski
Title: Carbon-13 Isotope Effects in 13C NMR Spectra of Some
Carbonyl Substituted Benzenes
- Authors:
- Vujanić, Predrag (74300)
- Meić, Zlatko (30321)
- Vikić-Topić, Dražen (71183)
Journal: Spetrosc. Letters
Volume: 28
Year: 1995
Pages: from 395 to 405
Language: engleski
Title: C-13 NMR Studies of Some Dialkyl
alpha-Anilinobenzylphosphonates and Dialkyl
alpha-Anilino-(2-hydroxybenzyl)phosphonates
- Authors:
- Ćurić, M.
- Tušek-Božić, Lj.
- Vikić-Topić, Dražen (71183)
Journal: Magn. Reson. Chem.
Volume: 33
Year: 1995
Pages: from 27 to 33
Language: engleski
Title: Primary and Secondary Deuterium-Induced Isotope Effects
for 13C NMR Parameters of Benzaldehyde
- Authors:
- Vujanić, Predrag (74300)
- Gacs-Baitz, E.
- Meić, Zlatko (30321)
- Šuste, Tonko
- Smrečki, Vilko (190003)
Journal: Magn. Reson. Chem.
Volume: 33
Year: 1995
Pages: from 426 to 430
Language: engleski
Title: Isotope Effects in 13C NMR Spectra of Monodeuteriated
trans-N-Benzylideneanilines
- Authors:
- Smrečki, Vilko (190003)
- Mueller, N.
- Vikić-Topić, Dražen (71183)
- Vujanić, Predrag (74300)
- Meić, Zlatko (30321)
Journal: J. Mol. Struct.
Volume: 348
Year: 1995
Pages: from 69 to 72
Language: engleski
Title: Infrared and Raman Spectra of cis-Stilbene and Its
Deuterated Isotopomers
- Authors:
- Meić, Zlatko (30321)
- Šuste, Tonko
- Baranović, Goran (2046)
- Smrečki, Vilko (190003)
- Holly, S.
- Keresztury, G.
Journal: J. Mol. Struct.
Volume: 348
Year: 1995
Pages: from 229 to 232
Language: engleski
Title: Loewdin Atomic Charges for Modeling Long Range Deuterium
Isotope Shifts in C-13 NMR Spectra of Binuclear Aromatic Molecules
- Authors:
- Vikić-Topić, Dražen (71183)
- Hodošček, M.
- Graovac, Ante
- Becker, E.D.
Journal: Croat. Chem. Acta
Volume: 68
Year: 1995
Pages: from 193 to 203
Language: engleski
Title: Photochemical Synthasis and NMR Spectra of Novel
Regiospecifically Trifluoromethyl Substituted Dibenzosemibullvalene
- Authors:
- Vikić-Topić, Dražen (71183)
- Lukić, T.
- Lončar, L.
- Mintas, M.
Journal: J. Fluorine Chem.
Volume: 74
Year: 1995
Pages: from 159 to 164
Language: engleski
Title: Investigation of Hydrogen Bond Structure in Benzoic Acid
Solutions
- Authors:
- Novak, Predrag (74300)
- Vikić-Topić, Dražen (71183)
- Meić, Zlatko (30321)
- Sekušak, S.
- Sabljić, A.
Journal: J. Mol. Struct.
Year: 1995
Language: engleski
Title: A Vibrational Assignment of Adamantanes and Some of Its
Isotopomers. Empirical vs. Scaled Semiempirical Force Field
- Authors:
- Bistričić, L.
- Baranović, Goran (2046)
- Mlinarić-Majerski, Kata (27342)
Journal: Spectrochim. Acta A
Volume: 51
Year: 1995
Language: engleski
Title: Deuterium Isotope Effects on 13C Chemical Shifts in
cis-Stilbene
- Authors:
- Meić, Zlatko (30321)
- Novak, Predrag (74300)
- Vikić-Topić, Dražen (71183)
- Smrečki, Vilko (190003)
Journal: Magn. Reson. Chem.
Year: 1995
Language: engleski
Information: svibor@znanost.hr
