Influence of substituents in pyrrole rings on electronic structure and molecular electrostatic potentials of porphyrins View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1988-05

AUTHORS

V. Ya. Zayats, V. M. Pinchuk, V. V. Lobanov

ABSTRACT

The distributions of the molecular electrostatic potential in the central cavities of the free bases protoporphyrin IX, mesoporphyrin IX, etioporphyrin III and of their mono- and dianions have been calculated. An analysis has been made of the influence of substituents in the pyrrole rings of the investigated porphyrins on the potential distribution in their central cavities and the possible mechanism for addition of protons to the appropriate dianions. More... »

PAGES

324-328

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00534560

DOI

http://dx.doi.org/10.1007/bf00534560

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1015737380


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": "L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev", 
          "id": "http://www.grid.ac/institutes/grid.469987.d", 
          "name": [
            "Kiev Polytechnic University, USSR", 
            "L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Zayats", 
        "givenName": "V. Ya.", 
        "id": "sg:person.015102434423.21", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015102434423.21"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev", 
          "id": "http://www.grid.ac/institutes/grid.469987.d", 
          "name": [
            "Kiev Polytechnic University, USSR", 
            "L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Pinchuk", 
        "givenName": "V. M.", 
        "id": "sg:person.012610322673.53", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012610322673.53"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev", 
          "id": "http://www.grid.ac/institutes/grid.469987.d", 
          "name": [
            "Kiev Polytechnic University, USSR", 
            "L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Lobanov", 
        "givenName": "V. V.", 
        "id": "sg:person.016020327543.29", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016020327543.29"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1007/bf00519194", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1001371717", 
          "https://doi.org/10.1007/bf00519194"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/bf00574438", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1039136939", 
          "https://doi.org/10.1007/bf00574438"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "1988-05", 
    "datePublishedReg": "1988-05-01", 
    "description": "The distributions of the molecular electrostatic potential in the central cavities of the free bases protoporphyrin IX, mesoporphyrin IX, etioporphyrin III and of their mono- and dianions have been calculated. An analysis has been made of the influence of substituents in the pyrrole rings of the investigated porphyrins on the potential distribution in their central cavities and the possible mechanism for addition of protons to the appropriate dianions.", 
    "genre": "article", 
    "id": "sg:pub.10.1007/bf00534560", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1010993", 
        "issn": [
          "0040-5760", 
          "1573-935X"
        ], 
        "name": "Theoretical and Experimental Chemistry", 
        "publisher": "Springer Nature", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "3", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "24"
      }
    ], 
    "keywords": [
      "protoporphyrin IX", 
      "possible mechanism", 
      "IX", 
      "cavity", 
      "potential", 
      "mechanism", 
      "central cavity", 
      "addition", 
      "analysis", 
      "influence", 
      "mesoporphyrin IX", 
      "distribution", 
      "mono", 
      "ring", 
      "porphyrins", 
      "substituents", 
      "pyrrole ring", 
      "structure", 
      "addition of protons", 
      "influence of substituents", 
      "protons", 
      "potential distribution", 
      "molecular electrostatic potential", 
      "electrostatic potential", 
      "electronic structure", 
      "dianion"
    ], 
    "name": "Influence of substituents in pyrrole rings on electronic structure and molecular electrostatic potentials of porphyrins", 
    "pagination": "324-328", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1015737380"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/bf00534560"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/bf00534560", 
      "https://app.dimensions.ai/details/publication/pub.1015737380"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-08-04T16:51", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220804/entities/gbq_results/article/article_189.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1007/bf00534560"
  }
]
 

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.10.1007/bf00534560'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1007/bf00534560'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/bf00534560'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/bf00534560'


 

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

106 TRIPLES      21 PREDICATES      53 URIs      43 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/bf00534560 schema:about anzsrc-for:03
2 anzsrc-for:0307
3 schema:author N0ff37daf2ba547ee842c3343e703d4dd
4 schema:citation sg:pub.10.1007/bf00519194
5 sg:pub.10.1007/bf00574438
6 schema:datePublished 1988-05
7 schema:datePublishedReg 1988-05-01
8 schema:description The distributions of the molecular electrostatic potential in the central cavities of the free bases protoporphyrin IX, mesoporphyrin IX, etioporphyrin III and of their mono- and dianions have been calculated. An analysis has been made of the influence of substituents in the pyrrole rings of the investigated porphyrins on the potential distribution in their central cavities and the possible mechanism for addition of protons to the appropriate dianions.
9 schema:genre article
10 schema:isAccessibleForFree false
11 schema:isPartOf N2681db57fea543f1a5fc67f4fda3a1c9
12 N968b2f1d7adb4a95a50b2a7d10426631
13 sg:journal.1010993
14 schema:keywords IX
15 addition
16 addition of protons
17 analysis
18 cavity
19 central cavity
20 dianion
21 distribution
22 electronic structure
23 electrostatic potential
24 influence
25 influence of substituents
26 mechanism
27 mesoporphyrin IX
28 molecular electrostatic potential
29 mono
30 porphyrins
31 possible mechanism
32 potential
33 potential distribution
34 protons
35 protoporphyrin IX
36 pyrrole ring
37 ring
38 structure
39 substituents
40 schema:name Influence of substituents in pyrrole rings on electronic structure and molecular electrostatic potentials of porphyrins
41 schema:pagination 324-328
42 schema:productId N1836c0ac05704cea8894f10c06327394
43 N3e6561ee1ff441eea78099b2dc58133e
44 schema:sameAs https://app.dimensions.ai/details/publication/pub.1015737380
45 https://doi.org/10.1007/bf00534560
46 schema:sdDatePublished 2022-08-04T16:51
47 schema:sdLicense https://scigraph.springernature.com/explorer/license/
48 schema:sdPublisher Nf611bc9ffa4746f4a7cd882d06c381b4
49 schema:url https://doi.org/10.1007/bf00534560
50 sgo:license sg:explorer/license/
51 sgo:sdDataset articles
52 rdf:type schema:ScholarlyArticle
53 N0ff37daf2ba547ee842c3343e703d4dd rdf:first sg:person.015102434423.21
54 rdf:rest Nb9ddbf33d8bf4ea8b60a5b40d881a7b8
55 N1836c0ac05704cea8894f10c06327394 schema:name dimensions_id
56 schema:value pub.1015737380
57 rdf:type schema:PropertyValue
58 N2681db57fea543f1a5fc67f4fda3a1c9 schema:issueNumber 3
59 rdf:type schema:PublicationIssue
60 N3e6561ee1ff441eea78099b2dc58133e schema:name doi
61 schema:value 10.1007/bf00534560
62 rdf:type schema:PropertyValue
63 N968b2f1d7adb4a95a50b2a7d10426631 schema:volumeNumber 24
64 rdf:type schema:PublicationVolume
65 Nb3107df47c62446caaae91ff316950e7 rdf:first sg:person.016020327543.29
66 rdf:rest rdf:nil
67 Nb9ddbf33d8bf4ea8b60a5b40d881a7b8 rdf:first sg:person.012610322673.53
68 rdf:rest Nb3107df47c62446caaae91ff316950e7
69 Nf611bc9ffa4746f4a7cd882d06c381b4 schema:name Springer Nature - SN SciGraph project
70 rdf:type schema:Organization
71 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
72 schema:name Chemical Sciences
73 rdf:type schema:DefinedTerm
74 anzsrc-for:0307 schema:inDefinedTermSet anzsrc-for:
75 schema:name Theoretical and Computational Chemistry
76 rdf:type schema:DefinedTerm
77 sg:journal.1010993 schema:issn 0040-5760
78 1573-935X
79 schema:name Theoretical and Experimental Chemistry
80 schema:publisher Springer Nature
81 rdf:type schema:Periodical
82 sg:person.012610322673.53 schema:affiliation grid-institutes:grid.469987.d
83 schema:familyName Pinchuk
84 schema:givenName V. M.
85 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012610322673.53
86 rdf:type schema:Person
87 sg:person.015102434423.21 schema:affiliation grid-institutes:grid.469987.d
88 schema:familyName Zayats
89 schema:givenName V. Ya.
90 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015102434423.21
91 rdf:type schema:Person
92 sg:person.016020327543.29 schema:affiliation grid-institutes:grid.469987.d
93 schema:familyName Lobanov
94 schema:givenName V. V.
95 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016020327543.29
96 rdf:type schema:Person
97 sg:pub.10.1007/bf00519194 schema:sameAs https://app.dimensions.ai/details/publication/pub.1001371717
98 https://doi.org/10.1007/bf00519194
99 rdf:type schema:CreativeWork
100 sg:pub.10.1007/bf00574438 schema:sameAs https://app.dimensions.ai/details/publication/pub.1039136939
101 https://doi.org/10.1007/bf00574438
102 rdf:type schema:CreativeWork
103 grid-institutes:grid.469987.d schema:alternateName L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev
104 schema:name Kiev Polytechnic University, USSR
105 L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev
106 rdf:type schema:Organization
 




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


...