Ontology type: schema:ScholarlyArticle
2007-08
AUTHORSA. A. Milov, A. G. Starikov, M. K. Gridin, R. M. Minyaev
ABSTRACTThe effect of counterions on the stabilization of aromatic pyrylium cation, a heterocyclic analog of benzene, was examined by ab initio [MP2(full)/6-311++G**] method and density functional theory [B3LYP/6-311++G(d,p)(6d,10f)]. Structures of the charge-transfer molecular complexes formed by interaction of pyrylium cation with counterion are predicted. The principal role of the counterion in the stabilization of the pyrylium cation aromatic system is demonstrated. The stabilization results from both electron density transfer and covalent bonding. More... »
PAGES1373
http://scigraph.springernature.com/pub.10.1134/s1070363207080154
DOIhttp://dx.doi.org/10.1134/s1070363207080154
DIMENSIONShttps://app.dimensions.ai/details/publication/pub.1015898013
JSON-LD is the canonical representation for SciGraph data.
TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT
[
{
"@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json",
"about": [
{
"id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03",
"inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/",
"name": "Chemical Sciences",
"type": "DefinedTerm"
},
{
"id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0306",
"inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/",
"name": "Physical Chemistry (incl. Structural)",
"type": "DefinedTerm"
},
{
"id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0307",
"inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/",
"name": "Theoretical and Computational Chemistry",
"type": "DefinedTerm"
}
],
"author": [
{
"affiliation": {
"alternateName": "Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia",
"id": "http://www.grid.ac/institutes/grid.182798.d",
"name": [
"Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia"
],
"type": "Organization"
},
"familyName": "Milov",
"givenName": "A. A.",
"id": "sg:person.01246405266.53",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01246405266.53"
],
"type": "Person"
},
{
"affiliation": {
"alternateName": "Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia",
"id": "http://www.grid.ac/institutes/grid.182798.d",
"name": [
"Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia"
],
"type": "Organization"
},
"familyName": "Starikov",
"givenName": "A. G.",
"id": "sg:person.014454430517.25",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014454430517.25"
],
"type": "Person"
},
{
"affiliation": {
"alternateName": "Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia",
"id": "http://www.grid.ac/institutes/grid.182798.d",
"name": [
"Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia"
],
"type": "Organization"
},
"familyName": "Gridin",
"givenName": "M. K.",
"id": "sg:person.07613621433.31",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.07613621433.31"
],
"type": "Person"
},
{
"affiliation": {
"alternateName": "Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia",
"id": "http://www.grid.ac/institutes/grid.182798.d",
"name": [
"Research Institute of Physical and Organic Chemistry, South Federal University, South Scientific Center, Russian Academy of Sciences, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia"
],
"type": "Organization"
},
"familyName": "Minyaev",
"givenName": "R. M.",
"id": "sg:person.01047475616.15",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01047475616.15"
],
"type": "Person"
}
],
"datePublished": "2007-08",
"datePublishedReg": "2007-08-01",
"description": "The effect of counterions on the stabilization of aromatic pyrylium cation, a heterocyclic analog of benzene, was examined by ab initio [MP2(full)/6-311++G**] method and density functional theory [B3LYP/6-311++G(d,p)(6d,10f)]. Structures of the charge-transfer molecular complexes formed by interaction of pyrylium cation with counterion are predicted. The principal role of the counterion in the stabilization of the pyrylium cation aromatic system is demonstrated. The stabilization results from both electron density transfer and covalent bonding.",
"genre": "article",
"id": "sg:pub.10.1134/s1070363207080154",
"inLanguage": "en",
"isAccessibleForFree": false,
"isPartOf": [
{
"id": "sg:journal.1429592",
"issn": [
"1070-3632",
"1608-3350"
],
"name": "Russian Journal of General Chemistry",
"publisher": "Pleiades Publishing",
"type": "Periodical"
},
{
"issueNumber": "8",
"type": "PublicationIssue"
},
{
"type": "PublicationVolume",
"volumeNumber": "77"
}
],
"keywords": [
"pyrylium cations",
"charge-transfer molecular complexes",
"electron density transfer",
"effect of counterions",
"ab initio methods",
"density functional theory",
"density transfer",
"covalent bonding",
"aromatic systems",
"molecular complexes",
"initio methods",
"counterions",
"electronic structure",
"heterocyclic analogues",
"functional theory",
"cations",
"bonding",
"benzene",
"stabilization",
"structure",
"complexes",
"analogues",
"transfer",
"interaction",
"effect",
"method",
"principal role",
"system",
"theory",
"role"
],
"name": "Effect of the counterion on the steric and electronic structure of pyrylium cation",
"pagination": "1373",
"productId": [
{
"name": "dimensions_id",
"type": "PropertyValue",
"value": [
"pub.1015898013"
]
},
{
"name": "doi",
"type": "PropertyValue",
"value": [
"10.1134/s1070363207080154"
]
}
],
"sameAs": [
"https://doi.org/10.1134/s1070363207080154",
"https://app.dimensions.ai/details/publication/pub.1015898013"
],
"sdDataset": "articles",
"sdDatePublished": "2022-05-20T07:24",
"sdLicense": "https://scigraph.springernature.com/explorer/license/",
"sdPublisher": {
"name": "Springer Nature - SN SciGraph project",
"type": "Organization"
},
"sdSource": "s3://com-springernature-scigraph/baseset/20220519/entities/gbq_results/article/article_437.jsonl",
"type": "ScholarlyArticle",
"url": "https://doi.org/10.1134/s1070363207080154"
}
]
Download the RDF metadata as: json-ld nt turtle xml License info
JSON-LD is a popular format for linked data which is fully compatible with JSON.
curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1134/s1070363207080154'
N-Triples is a line-based linked data format ideal for batch operations.
curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1134/s1070363207080154'
Turtle is a human-readable linked data format.
curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s1070363207080154'
RDF/XML is a standard XML format for linked data.
curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s1070363207080154'
This table displays all metadata directly associated to this object as RDF triples.
113 TRIPLES
21 PREDICATES
57 URIs
48 LITERALS
6 BLANK NODES