This HTML5 document contains 43 embedded RDF statements represented using HTML+Microdata notation.

The embedded RDF content will be recognized by any processor of HTML5 Microdata.

Namespace Prefixes

PrefixIRI
dctermshttp://purl.org/dc/terms/
n10http://linked.opendata.cz/resource/domain/vavai/projekt/
n7http://linked.opendata.cz/resource/domain/vavai/riv/tvurce/
n18http://linked.opendata.cz/resource/domain/vavai/subjekt/
n17http://linked.opendata.cz/ontology/domain/vavai/
shttp://schema.org/
skoshttp://www.w3.org/2004/02/skos/core#
n4http://linked.opendata.cz/ontology/domain/vavai/riv/
n5http://bibframe.org/vocab/
n2http://linked.opendata.cz/resource/domain/vavai/vysledek/
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
n16http://linked.opendata.cz/resource/domain/vavai/vysledek/RIV%2F61388955%3A_____%2F13%3A00391992%21RIV14-AV0-61388955/
n12http://linked.opendata.cz/ontology/domain/vavai/riv/klicoveSlovo/
n15http://linked.opendata.cz/ontology/domain/vavai/riv/duvernostUdaju/
xsdhhttp://www.w3.org/2001/XMLSchema#
n19http://linked.opendata.cz/ontology/domain/vavai/riv/jazykVysledku/
n9http://linked.opendata.cz/ontology/domain/vavai/riv/aktivita/
n13http://linked.opendata.cz/ontology/domain/vavai/riv/druhVysledku/
n6http://linked.opendata.cz/ontology/domain/vavai/riv/obor/
n8http://reference.data.gov.uk/id/gregorian-year/

Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F13%3A00391992%21RIV14-AV0-61388955
rdf:type
skos:Concept n17:Vysledek
dcterms:description
From the V2O5single bondH2O2single bondH2dipic–nica/pa/phen–H2O/H2Osingle bondCH3CN reaction systems (H2dipic = dipicolinic acid, nica = nicotinamide, pa = picolinamide, phen = 1,10-phenanthroline), three monoperoxidovanadium(V) complexes have been synthesized and structurally characterized: (Hpa)[VO(O2)(dipic)(H2O)].H2O (1), (Hnica)[VO(O2)(dipic)(H2O)] (2) and (Hphen)[VO(O2)(dipic)(H2O)].H2O (3). The organic counterions in 1–3 are protonated on the aromatic nitrogen atoms, whereas the dipicolinato(2-) (=dipic) ligand adopts a tridentate chelating coordination mode in all three complexes. The NOO donor atoms of dipic occupy the three equatorial positions of the characteristic distorted pentagonal bipyramid around the central vanadium atom. The aqua ligand is located in the apical position trans to the short Vtriple bond; length of mdashO(oxido) bond. In addition to electrostatic cation–anion interactions, the supramolecular architecture of the title complexes is formed by: (i) a network of Dsingle bondH...O (D = N, O and C) hydrogen bonds, (ii) π–π interactions between offset pyridine rings of dipic (in 1 and 2) as well as between the rings of Hpa+, Hnica+ or Hphen+, (iii) anion–π interactions (in 1 and 3) between the oxygen atoms of the COO group and rings of the dipic ligands, and (iv) the rarely recognized lone pair–π interaction between the carboxamide oxygen atoms of Hpa+ and pyridine rings in 1, as well as between the oxygen atoms from crystal water molecules and the pyridine rings of Hphen+ in 3. The anion–π and lone pair–π interactions were studied more in detail by DFT. A common feature for both these interactions was the lack of significant covalent contributions to the attraction between the respective partners. From the V2O5single bondH2O2single bondH2dipic–nica/pa/phen–H2O/H2Osingle bondCH3CN reaction systems (H2dipic = dipicolinic acid, nica = nicotinamide, pa = picolinamide, phen = 1,10-phenanthroline), three monoperoxidovanadium(V) complexes have been synthesized and structurally characterized: (Hpa)[VO(O2)(dipic)(H2O)].H2O (1), (Hnica)[VO(O2)(dipic)(H2O)] (2) and (Hphen)[VO(O2)(dipic)(H2O)].H2O (3). The organic counterions in 1–3 are protonated on the aromatic nitrogen atoms, whereas the dipicolinato(2-) (=dipic) ligand adopts a tridentate chelating coordination mode in all three complexes. The NOO donor atoms of dipic occupy the three equatorial positions of the characteristic distorted pentagonal bipyramid around the central vanadium atom. The aqua ligand is located in the apical position trans to the short Vtriple bond; length of mdashO(oxido) bond. In addition to electrostatic cation–anion interactions, the supramolecular architecture of the title complexes is formed by: (i) a network of Dsingle bondH...O (D = N, O and C) hydrogen bonds, (ii) π–π interactions between offset pyridine rings of dipic (in 1 and 2) as well as between the rings of Hpa+, Hnica+ or Hphen+, (iii) anion–π interactions (in 1 and 3) between the oxygen atoms of the COO group and rings of the dipic ligands, and (iv) the rarely recognized lone pair–π interaction between the carboxamide oxygen atoms of Hpa+ and pyridine rings in 1, as well as between the oxygen atoms from crystal water molecules and the pyridine rings of Hphen+ in 3. The anion–π and lone pair–π interactions were studied more in detail by DFT. A common feature for both these interactions was the lack of significant covalent contributions to the attraction between the respective partners.
dcterms:title
Anion–π, lone pair–π and π–π interactions in VO(O2)+ complexes with one dipicolinato(2-)-N,O,O ligand and bearing picolinamidium, nicotinamidium or phenanthrolinium as counterions Anion–π, lone pair–π and π–π interactions in VO(O2)+ complexes with one dipicolinato(2-)-N,O,O ligand and bearing picolinamidium, nicotinamidium or phenanthrolinium as counterions
skos:prefLabel
Anion–π, lone pair–π and π–π interactions in VO(O2)+ complexes with one dipicolinato(2-)-N,O,O ligand and bearing picolinamidium, nicotinamidium or phenanthrolinium as counterions Anion–π, lone pair–π and π–π interactions in VO(O2)+ complexes with one dipicolinato(2-)-N,O,O ligand and bearing picolinamidium, nicotinamidium or phenanthrolinium as counterions
skos:notation
RIV/61388955:_____/13:00391992!RIV14-AV0-61388955
n17:predkladatel
n18:ico%3A61388955
n4:aktivita
n9:P n9:I
n4:aktivity
I, P(KAN100400701)
n4:cisloPeriodika
JUN 2013
n4:dodaniDat
n8:2014
n4:domaciTvurceVysledku
n7:5347440
n4:druhVysledku
n13:J
n4:duvernostUdaju
n15:S
n4:entitaPredkladatele
n16:predkladatel
n4:idSjednocenehoVysledku
61273
n4:idVysledku
RIV/61388955:_____/13:00391992
n4:jazykVysledku
n19:eng
n4:klicovaSlova
Monoperoxidovanadium (V); Dipicolinato(2-) ligand; Anion–π
n4:klicoveSlovo
n12:Monoperoxidovanadium%20%28V%29 n12:Dipicolinato%282-%29%20ligand n12:Anion%E2%80%93%CF%80
n4:kodStatuVydavatele
NL - Nizozemsko
n4:kontrolniKodProRIV
[84552B70EABF]
n4:nazevZdroje
Journal of Molecular Structure
n4:obor
n6:CF
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
4
n4:projekt
n10:KAN100400701
n4:rokUplatneniVysledku
n8:2013
n4:svazekPeriodika
1041
n4:tvurceVysledku
Gyepes, Robert Sivák, M. Pacigová, S. Tatiersky, J.
n4:wos
000319176700017
s:issn
0022-2860
s:numberOfPages
9
n5:doi
10.1016/j.molstruc.2013.02.022