Parquet compounds on the basis of eight- and twelve-membered structure blocks: Quantum-chemical study View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2016-02

AUTHORS

T. N. Gribanova, R. M. Minyaev, V. I. Minkin

ABSTRACT

Annelated structures of cyclooctatetraene and cyclododecahexene and their expanded lowmolecular derivatives were studied using DFT B3LYP method with 6-311G(d,p), 6-311(df,p), 6-311+G(3df) basis sets. Monomer systems including planar antiaromatic cycles are stable in the singlet state, whereas the corresponding triplet states are significantly destabilized. The stability of nonstandard planar forms with antiaromatic cycles is provided by steric factors and the effects of π-electron interaction between the central and peripheral fragments. More... »

PAGES

268-282

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070428016020184

DOI

http://dx.doi.org/10.1134/s1070428016020184

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1022989846


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

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/2008/0307", 
        "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 at Southern Federal University, 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 at Southern Federal University, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Gribanova", 
        "givenName": "T. N.", 
        "id": "sg:person.01157263364.53", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01157263364.53"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Research Institute of Physical and Organic Chemistry at Southern Federal University, 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 at Southern Federal University, 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"
      }, 
      {
        "affiliation": {
          "alternateName": "Research Institute of Physical and Organic Chemistry at Southern Federal University, 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 at Southern Federal University, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Minkin", 
        "givenName": "V. I.", 
        "id": "sg:person.07535265367.87", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.07535265367.87"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1038/srep03238", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1011914873", 
          "https://doi.org/10.1038/srep03238"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s12274-011-0192-z", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1016360329", 
          "https://doi.org/10.1007/s12274-011-0192-z"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1038/ncomms4113", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1027158649", 
          "https://doi.org/10.1038/ncomms4113"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2016-02", 
    "datePublishedReg": "2016-02-01", 
    "description": "Annelated structures of cyclooctatetraene and cyclododecahexene and their expanded lowmolecular derivatives were studied using DFT B3LYP method with 6-311G(d,p), 6-311(df,p), 6-311+G(3df) basis sets. Monomer systems including planar antiaromatic cycles are stable in the singlet state, whereas the corresponding triplet states are significantly destabilized. The stability of nonstandard planar forms with antiaromatic cycles is provided by steric factors and the effects of \u03c0-electron interaction between the central and peripheral fragments.", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s1070428016020184", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1136317", 
        "issn": [
          "0514-7492", 
          "1070-4280"
        ], 
        "name": "Russian Journal of Organic Chemistry", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "2", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "52"
      }
    ], 
    "keywords": [
      "quantum-chemical study", 
      "DFT B3LYP method", 
      "B3LYP method", 
      "steric factors", 
      "corresponding triplet states", 
      "monomer systems", 
      "triplet state", 
      "basis set", 
      "singlet state", 
      "planar form", 
      "peripheral fragments", 
      "electron interaction", 
      "cyclooctatetraene", 
      "derivatives", 
      "structure blocks", 
      "stability", 
      "structure", 
      "interaction", 
      "state", 
      "cycle", 
      "parquet", 
      "fragments", 
      "block", 
      "method", 
      "form", 
      "effect", 
      "basis", 
      "system", 
      "study", 
      "set", 
      "factors", 
      "Annelated structures", 
      "cyclododecahexene", 
      "lowmolecular derivatives", 
      "planar antiaromatic cycles", 
      "antiaromatic cycles", 
      "nonstandard planar forms", 
      "twelve-membered structure blocks"
    ], 
    "name": "Parquet compounds on the basis of eight- and twelve-membered structure blocks: Quantum-chemical study", 
    "pagination": "268-282", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1022989846"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s1070428016020184"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s1070428016020184", 
      "https://app.dimensions.ai/details/publication/pub.1022989846"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2021-12-01T19:35", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20211201/entities/gbq_results/article/article_695.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s1070428016020184"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

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/s1070428016020184'

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/s1070428016020184'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s1070428016020184'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s1070428016020184'


 

This table displays all metadata directly associated to this object as RDF triples.

122 TRIPLES      22 PREDICATES      67 URIs      56 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s1070428016020184 schema:about anzsrc-for:03
2 anzsrc-for:0307
3 schema:author Nb061cce8b8a0483a93981bcf10eb2642
4 schema:citation sg:pub.10.1007/s12274-011-0192-z
5 sg:pub.10.1038/ncomms4113
6 sg:pub.10.1038/srep03238
7 schema:datePublished 2016-02
8 schema:datePublishedReg 2016-02-01
9 schema:description Annelated structures of cyclooctatetraene and cyclododecahexene and their expanded lowmolecular derivatives were studied using DFT B3LYP method with 6-311G(d,p), 6-311(df,p), 6-311+G(3df) basis sets. Monomer systems including planar antiaromatic cycles are stable in the singlet state, whereas the corresponding triplet states are significantly destabilized. The stability of nonstandard planar forms with antiaromatic cycles is provided by steric factors and the effects of π-electron interaction between the central and peripheral fragments.
10 schema:genre article
11 schema:inLanguage en
12 schema:isAccessibleForFree false
13 schema:isPartOf N8f2001be02394d81bfed3688b367c992
14 Ncae8a146c2a84256993ce6347ae1b2b2
15 sg:journal.1136317
16 schema:keywords Annelated structures
17 B3LYP method
18 DFT B3LYP method
19 antiaromatic cycles
20 basis
21 basis set
22 block
23 corresponding triplet states
24 cycle
25 cyclododecahexene
26 cyclooctatetraene
27 derivatives
28 effect
29 electron interaction
30 factors
31 form
32 fragments
33 interaction
34 lowmolecular derivatives
35 method
36 monomer systems
37 nonstandard planar forms
38 parquet
39 peripheral fragments
40 planar antiaromatic cycles
41 planar form
42 quantum-chemical study
43 set
44 singlet state
45 stability
46 state
47 steric factors
48 structure
49 structure blocks
50 study
51 system
52 triplet state
53 twelve-membered structure blocks
54 schema:name Parquet compounds on the basis of eight- and twelve-membered structure blocks: Quantum-chemical study
55 schema:pagination 268-282
56 schema:productId N4163b893fb924b75af857264081c7f68
57 N6e145c4d0d7b4cb19a3fadf5780f150c
58 schema:sameAs https://app.dimensions.ai/details/publication/pub.1022989846
59 https://doi.org/10.1134/s1070428016020184
60 schema:sdDatePublished 2021-12-01T19:35
61 schema:sdLicense https://scigraph.springernature.com/explorer/license/
62 schema:sdPublisher Nb96a05987ffc43388ff3a7acfdbb3f71
63 schema:url https://doi.org/10.1134/s1070428016020184
64 sgo:license sg:explorer/license/
65 sgo:sdDataset articles
66 rdf:type schema:ScholarlyArticle
67 N2d3159d8c7814313a31cce00879e2421 rdf:first sg:person.07535265367.87
68 rdf:rest rdf:nil
69 N4163b893fb924b75af857264081c7f68 schema:name dimensions_id
70 schema:value pub.1022989846
71 rdf:type schema:PropertyValue
72 N6e145c4d0d7b4cb19a3fadf5780f150c schema:name doi
73 schema:value 10.1134/s1070428016020184
74 rdf:type schema:PropertyValue
75 N8f2001be02394d81bfed3688b367c992 schema:issueNumber 2
76 rdf:type schema:PublicationIssue
77 Nb061cce8b8a0483a93981bcf10eb2642 rdf:first sg:person.01157263364.53
78 rdf:rest Ne96227c2dbc34115aec6e3eee24368c7
79 Nb96a05987ffc43388ff3a7acfdbb3f71 schema:name Springer Nature - SN SciGraph project
80 rdf:type schema:Organization
81 Ncae8a146c2a84256993ce6347ae1b2b2 schema:volumeNumber 52
82 rdf:type schema:PublicationVolume
83 Ne96227c2dbc34115aec6e3eee24368c7 rdf:first sg:person.01047475616.15
84 rdf:rest N2d3159d8c7814313a31cce00879e2421
85 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
86 schema:name Chemical Sciences
87 rdf:type schema:DefinedTerm
88 anzsrc-for:0307 schema:inDefinedTermSet anzsrc-for:
89 schema:name Theoretical and Computational Chemistry
90 rdf:type schema:DefinedTerm
91 sg:journal.1136317 schema:issn 0514-7492
92 1070-4280
93 schema:name Russian Journal of Organic Chemistry
94 schema:publisher Pleiades Publishing
95 rdf:type schema:Periodical
96 sg:person.01047475616.15 schema:affiliation grid-institutes:grid.182798.d
97 schema:familyName Minyaev
98 schema:givenName R. M.
99 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01047475616.15
100 rdf:type schema:Person
101 sg:person.01157263364.53 schema:affiliation grid-institutes:grid.182798.d
102 schema:familyName Gribanova
103 schema:givenName T. N.
104 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01157263364.53
105 rdf:type schema:Person
106 sg:person.07535265367.87 schema:affiliation grid-institutes:grid.182798.d
107 schema:familyName Minkin
108 schema:givenName V. I.
109 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.07535265367.87
110 rdf:type schema:Person
111 sg:pub.10.1007/s12274-011-0192-z schema:sameAs https://app.dimensions.ai/details/publication/pub.1016360329
112 https://doi.org/10.1007/s12274-011-0192-z
113 rdf:type schema:CreativeWork
114 sg:pub.10.1038/ncomms4113 schema:sameAs https://app.dimensions.ai/details/publication/pub.1027158649
115 https://doi.org/10.1038/ncomms4113
116 rdf:type schema:CreativeWork
117 sg:pub.10.1038/srep03238 schema:sameAs https://app.dimensions.ai/details/publication/pub.1011914873
118 https://doi.org/10.1038/srep03238
119 rdf:type schema:CreativeWork
120 grid-institutes:grid.182798.d schema:alternateName Research Institute of Physical and Organic Chemistry at Southern Federal University, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia
121 schema:name Research Institute of Physical and Organic Chemistry at Southern Federal University, pr. Stachki 194/2, 344090, Rostov-on-Don, Russia
122 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...