Quantum-chemical modeling of metal coordination compounds with photoswitchable magnetic properties controlled by ligand rearrangements View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2011-01

AUTHORS

V. I. Minkin, A. G. Starikov, R. M. Minyaev, A. A. Starikova

ABSTRACT

The complexation of chromenes with transition metal ions was studied using the B3LYP*/6-311++G(d,p) method. We are the first to show that transformation of the spin state of a transition metal complex through an LD LISC mechanism can be achieved by means of configurational isomerization of the metal-chelate coordination site induced by ligand rearrangement. More... »

PAGES

363-370

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11237-011-9167-0

DOI

http://dx.doi.org/10.1007/s11237-011-9167-0

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1035948649


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/2008/0302", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Inorganic Chemistry", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Southern Scientific Center, Russian Academy of Sciences, Propekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation", 
          "id": "http://www.grid.ac/institutes/grid.465325.3", 
          "name": [
            "Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation", 
            "Southern Scientific Center, Russian Academy of Sciences, Propekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation"
          ], 
          "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"
      }, 
      {
        "affiliation": {
          "alternateName": "Southern Scientific Center, Russian Academy of Sciences, Propekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation", 
          "id": "http://www.grid.ac/institutes/grid.465325.3", 
          "name": [
            "Southern Scientific Center, Russian Academy of Sciences, Propekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Starikov", 
        "givenName": "A. G.", 
        "id": "sg:person.01233761611.24", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01233761611.24"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation"
          ], 
          "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": "Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Starikova", 
        "givenName": "A. A.", 
        "id": "sg:person.01366450202.03", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01366450202.03"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1007/s002140050309", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1014247727", 
          "https://doi.org/10.1007/s002140050309"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s00214-001-0300-3", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1053008121", 
          "https://doi.org/10.1007/s00214-001-0300-3"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2011-01", 
    "datePublishedReg": "2011-01-01", 
    "description": "The complexation of chromenes with transition metal ions was studied using the B3LYP*/6-311++G(d,p) method. We are the first to show that transformation of the spin state of a transition metal complex through an LD LISC mechanism can be achieved by means of configurational isomerization of the metal-chelate coordination site induced by ligand rearrangement.", 
    "genre": "article", 
    "id": "sg:pub.10.1007/s11237-011-9167-0", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1010993", 
        "issn": [
          "0040-5760", 
          "1573-935X"
        ], 
        "name": "Theoretical and Experimental Chemistry", 
        "publisher": "Springer Nature", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "6", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "46"
      }
    ], 
    "keywords": [
      "ligand rearrangement", 
      "quantum-chemical modeling", 
      "transition metal complexes", 
      "transition metal ions", 
      "metal complexes", 
      "metal coordination", 
      "metal ions", 
      "coordination sites", 
      "magnetic properties", 
      "spin states", 
      "configurational isomerization", 
      "complexation", 
      "chromenes", 
      "ions", 
      "isomerization", 
      "complexes", 
      "rearrangement", 
      "properties", 
      "coordination", 
      "transformation", 
      "method", 
      "sites", 
      "state", 
      "mechanism", 
      "means", 
      "modeling", 
      "complexation of chromenes", 
      "LD LISC mechanism", 
      "LISC mechanism", 
      "metal-chelate coordination site", 
      "photoswitchable magnetic properties"
    ], 
    "name": "Quantum-chemical modeling of metal coordination compounds with photoswitchable magnetic properties controlled by ligand rearrangements", 
    "pagination": "363-370", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1035948649"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/s11237-011-9167-0"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/s11237-011-9167-0", 
      "https://app.dimensions.ai/details/publication/pub.1035948649"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2021-11-01T18:16", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20211101/entities/gbq_results/article/article_531.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1007/s11237-011-9167-0"
  }
]
 

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/s11237-011-9167-0'

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/s11237-011-9167-0'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s11237-011-9167-0'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s11237-011-9167-0'


 

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

122 TRIPLES      22 PREDICATES      59 URIs      49 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/s11237-011-9167-0 schema:about anzsrc-for:03
2 anzsrc-for:0302
3 schema:author Nd56c32522a824dca8f53167d6b92e6f5
4 schema:citation sg:pub.10.1007/s00214-001-0300-3
5 sg:pub.10.1007/s002140050309
6 schema:datePublished 2011-01
7 schema:datePublishedReg 2011-01-01
8 schema:description The complexation of chromenes with transition metal ions was studied using the B3LYP*/6-311++G(d,p) method. We are the first to show that transformation of the spin state of a transition metal complex through an LD LISC mechanism can be achieved by means of configurational isomerization of the metal-chelate coordination site induced by ligand rearrangement.
9 schema:genre article
10 schema:inLanguage en
11 schema:isAccessibleForFree false
12 schema:isPartOf N6b9487ace8d843609fe02d2dc540de68
13 N6c2bf92bb86f42a68de1c693bec5cdb9
14 sg:journal.1010993
15 schema:keywords LD LISC mechanism
16 LISC mechanism
17 chromenes
18 complexation
19 complexation of chromenes
20 complexes
21 configurational isomerization
22 coordination
23 coordination sites
24 ions
25 isomerization
26 ligand rearrangement
27 magnetic properties
28 means
29 mechanism
30 metal complexes
31 metal coordination
32 metal ions
33 metal-chelate coordination site
34 method
35 modeling
36 photoswitchable magnetic properties
37 properties
38 quantum-chemical modeling
39 rearrangement
40 sites
41 spin states
42 state
43 transformation
44 transition metal complexes
45 transition metal ions
46 schema:name Quantum-chemical modeling of metal coordination compounds with photoswitchable magnetic properties controlled by ligand rearrangements
47 schema:pagination 363-370
48 schema:productId N6c81458cd340487584c48a4a5bdbad4b
49 Nc715322173bf40c0a5ee3ab5855a65e8
50 schema:sameAs https://app.dimensions.ai/details/publication/pub.1035948649
51 https://doi.org/10.1007/s11237-011-9167-0
52 schema:sdDatePublished 2021-11-01T18:16
53 schema:sdLicense https://scigraph.springernature.com/explorer/license/
54 schema:sdPublisher Nef9c7eea05844f8c835f5b5ddf3ec974
55 schema:url https://doi.org/10.1007/s11237-011-9167-0
56 sgo:license sg:explorer/license/
57 sgo:sdDataset articles
58 rdf:type schema:ScholarlyArticle
59 N67f3c437e9e24e8d9aed2b2a88dc9675 rdf:first sg:person.01366450202.03
60 rdf:rest rdf:nil
61 N6b9487ace8d843609fe02d2dc540de68 schema:volumeNumber 46
62 rdf:type schema:PublicationVolume
63 N6c2bf92bb86f42a68de1c693bec5cdb9 schema:issueNumber 6
64 rdf:type schema:PublicationIssue
65 N6c81458cd340487584c48a4a5bdbad4b schema:name doi
66 schema:value 10.1007/s11237-011-9167-0
67 rdf:type schema:PropertyValue
68 Nb05cb98b40c240d68334b6be7df5bc9b rdf:first sg:person.01233761611.24
69 rdf:rest Nd9a5b6027d484999b615a667f31d9031
70 Nc715322173bf40c0a5ee3ab5855a65e8 schema:name dimensions_id
71 schema:value pub.1035948649
72 rdf:type schema:PropertyValue
73 Nd56c32522a824dca8f53167d6b92e6f5 rdf:first sg:person.07535265367.87
74 rdf:rest Nb05cb98b40c240d68334b6be7df5bc9b
75 Nd9a5b6027d484999b615a667f31d9031 rdf:first sg:person.01047475616.15
76 rdf:rest N67f3c437e9e24e8d9aed2b2a88dc9675
77 Nef9c7eea05844f8c835f5b5ddf3ec974 schema:name Springer Nature - SN SciGraph project
78 rdf:type schema:Organization
79 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
80 schema:name Chemical Sciences
81 rdf:type schema:DefinedTerm
82 anzsrc-for:0302 schema:inDefinedTermSet anzsrc-for:
83 schema:name Inorganic Chemistry
84 rdf:type schema:DefinedTerm
85 sg:journal.1010993 schema:issn 0040-5760
86 1573-935X
87 schema:name Theoretical and Experimental Chemistry
88 schema:publisher Springer Nature
89 rdf:type schema:Periodical
90 sg:person.01047475616.15 schema:affiliation grid-institutes:grid.182798.d
91 schema:familyName Minyaev
92 schema:givenName R. M.
93 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01047475616.15
94 rdf:type schema:Person
95 sg:person.01233761611.24 schema:affiliation grid-institutes:grid.465325.3
96 schema:familyName Starikov
97 schema:givenName A. G.
98 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01233761611.24
99 rdf:type schema:Person
100 sg:person.01366450202.03 schema:affiliation grid-institutes:grid.182798.d
101 schema:familyName Starikova
102 schema:givenName A. A.
103 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01366450202.03
104 rdf:type schema:Person
105 sg:person.07535265367.87 schema:affiliation grid-institutes:grid.465325.3
106 schema:familyName Minkin
107 schema:givenName V. I.
108 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.07535265367.87
109 rdf:type schema:Person
110 sg:pub.10.1007/s00214-001-0300-3 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053008121
111 https://doi.org/10.1007/s00214-001-0300-3
112 rdf:type schema:CreativeWork
113 sg:pub.10.1007/s002140050309 schema:sameAs https://app.dimensions.ai/details/publication/pub.1014247727
114 https://doi.org/10.1007/s002140050309
115 rdf:type schema:CreativeWork
116 grid-institutes:grid.182798.d schema:alternateName Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation
117 schema:name Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation
118 rdf:type schema:Organization
119 grid-institutes:grid.465325.3 schema:alternateName Southern Scientific Center, Russian Academy of Sciences, Propekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation
120 schema:name Physical and Organic Chemistry Research Institute, Southern Federal University, Prospekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation
121 Southern Scientific Center, Russian Academy of Sciences, Propekt Stachki, 194/2, 344090, Rostov-on-Don, Russian Federation
122 rdf:type schema:Organization
 




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


...