Influence of structural factors on the magnetic properties of the binuclear copper complexes with salicylaldehyde hydrazone and bis(hydrazone)-2,6-diformylphenol: Quantum-chemical calculations View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2009-08-21

AUTHORS

A. G. Starikov, V. A. Kogan, V. V. Lukov, V. I. Minkin, R. M. Minyaev

ABSTRACT

The structures and magnetic properties of the binuclear copper complexes of salicylaldehyde mono- and bis(hydrazone) derivatives were studied by the quantum-chemical density functional theory (B3LYP/6-311++g(d,p)) using the broken-symmetry technique. The change in the degree of deprotonation of the ligands was found to exert an insignificant effect on the magnetic properties, whereas the coordination of solvent molecules substantially weakened the antiferromagnetic interaction. More... »

PAGES

616-620

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070328409080090

DOI

http://dx.doi.org/10.1134/s1070328409080090

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1024052514


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, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.465325.3", 
          "name": [
            "Southern Scientific Center, Russian Academy of Sciences, 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": "Southern Federal University, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Southern Federal University, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Kogan", 
        "givenName": "V. A.", 
        "id": "sg:person.01147254073.80", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01147254073.80"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Southern Federal University, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Southern Federal University, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Lukov", 
        "givenName": "V. V.", 
        "id": "sg:person.011277251571.08", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011277251571.08"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Southern Scientific Center, Russian Academy of Sciences, Rostov-on-Don, Russia", 
            "Research Institute of Physical and Organic Chemistry, Southern Federal University, 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"
      }, 
      {
        "affiliation": {
          "alternateName": "Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Research Institute of Physical and Organic Chemistry, Southern Federal University, 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"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1023/b:ruco.0000022119.12007.9c", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1003930526", 
          "https://doi.org/10.1023/b:ruco.0000022119.12007.9c"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1038/35071024", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1033576786", 
          "https://doi.org/10.1038/35071024"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2009-08-21", 
    "datePublishedReg": "2009-08-21", 
    "description": "The structures and magnetic properties of the binuclear copper complexes of salicylaldehyde mono- and bis(hydrazone) derivatives were studied by the quantum-chemical density functional theory (B3LYP/6-311++g(d,p)) using the broken-symmetry technique. The change in the degree of deprotonation of the ligands was found to exert an insignificant effect on the magnetic properties, whereas the coordination of solvent molecules substantially weakened the antiferromagnetic interaction.", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s1070328409080090", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1294773", 
        "issn": [
          "0132-344X", 
          "1608-3318"
        ], 
        "name": "Russian Journal of Coordination Chemistry", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "8", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "35"
      }
    ], 
    "keywords": [
      "binuclear copper complexes", 
      "copper complexes", 
      "quantum chemical density functional theory", 
      "magnetic properties", 
      "quantum chemical calculations", 
      "degree of deprotonation", 
      "density functional theory", 
      "solvent molecules", 
      "salicylaldehyde hydrazone", 
      "antiferromagnetic interactions", 
      "functional theory", 
      "complexes", 
      "properties", 
      "diformylphenol", 
      "deprotonation", 
      "hydrazones", 
      "ligands", 
      "molecules", 
      "mono", 
      "derivatives", 
      "structural factors", 
      "coordination", 
      "calculations", 
      "structure", 
      "interaction", 
      "insignificant effect", 
      "technique", 
      "influence", 
      "effect", 
      "degree", 
      "changes", 
      "theory", 
      "factors"
    ], 
    "name": "Influence of structural factors on the magnetic properties of the binuclear copper complexes with salicylaldehyde hydrazone and bis(hydrazone)-2,6-diformylphenol: Quantum-chemical calculations", 
    "pagination": "616-620", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1024052514"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s1070328409080090"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s1070328409080090", 
      "https://app.dimensions.ai/details/publication/pub.1024052514"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-05-10T09:59", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220509/entities/gbq_results/article/article_500.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s1070328409080090"
  }
]
 

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/s1070328409080090'

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/s1070328409080090'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s1070328409080090'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s1070328409080090'


 

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

133 TRIPLES      22 PREDICATES      60 URIs      50 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s1070328409080090 schema:about anzsrc-for:03
2 anzsrc-for:0302
3 schema:author N08926ff8fe3a4bf999a55fab75bed786
4 schema:citation sg:pub.10.1023/b:ruco.0000022119.12007.9c
5 sg:pub.10.1038/35071024
6 schema:datePublished 2009-08-21
7 schema:datePublishedReg 2009-08-21
8 schema:description The structures and magnetic properties of the binuclear copper complexes of salicylaldehyde mono- and bis(hydrazone) derivatives were studied by the quantum-chemical density functional theory (B3LYP/6-311++g(d,p)) using the broken-symmetry technique. The change in the degree of deprotonation of the ligands was found to exert an insignificant effect on the magnetic properties, whereas the coordination of solvent molecules substantially weakened the antiferromagnetic interaction.
9 schema:genre article
10 schema:inLanguage en
11 schema:isAccessibleForFree false
12 schema:isPartOf N148fce33a6824be6945f0d32ef86ed9f
13 N5774c9cc37c84f89940e3933ccce4686
14 sg:journal.1294773
15 schema:keywords antiferromagnetic interactions
16 binuclear copper complexes
17 calculations
18 changes
19 complexes
20 coordination
21 copper complexes
22 degree
23 degree of deprotonation
24 density functional theory
25 deprotonation
26 derivatives
27 diformylphenol
28 effect
29 factors
30 functional theory
31 hydrazones
32 influence
33 insignificant effect
34 interaction
35 ligands
36 magnetic properties
37 molecules
38 mono
39 properties
40 quantum chemical calculations
41 quantum chemical density functional theory
42 salicylaldehyde hydrazone
43 solvent molecules
44 structural factors
45 structure
46 technique
47 theory
48 schema:name Influence of structural factors on the magnetic properties of the binuclear copper complexes with salicylaldehyde hydrazone and bis(hydrazone)-2,6-diformylphenol: Quantum-chemical calculations
49 schema:pagination 616-620
50 schema:productId N137ce3ad21e84430854b0fb0427dd695
51 N32926ed3e9bf41e0b18d84e23bf31b7e
52 schema:sameAs https://app.dimensions.ai/details/publication/pub.1024052514
53 https://doi.org/10.1134/s1070328409080090
54 schema:sdDatePublished 2022-05-10T09:59
55 schema:sdLicense https://scigraph.springernature.com/explorer/license/
56 schema:sdPublisher Nca2a0c61a1cd41c7b6097947c44adb03
57 schema:url https://doi.org/10.1134/s1070328409080090
58 sgo:license sg:explorer/license/
59 sgo:sdDataset articles
60 rdf:type schema:ScholarlyArticle
61 N08926ff8fe3a4bf999a55fab75bed786 rdf:first sg:person.014454430517.25
62 rdf:rest N165b760328cf4c9ba75c5b9bc226ca95
63 N137ce3ad21e84430854b0fb0427dd695 schema:name doi
64 schema:value 10.1134/s1070328409080090
65 rdf:type schema:PropertyValue
66 N148fce33a6824be6945f0d32ef86ed9f schema:issueNumber 8
67 rdf:type schema:PublicationIssue
68 N165b760328cf4c9ba75c5b9bc226ca95 rdf:first sg:person.01147254073.80
69 rdf:rest N1e779ab11cd54db4ae7ed4540fbb500a
70 N1e779ab11cd54db4ae7ed4540fbb500a rdf:first sg:person.011277251571.08
71 rdf:rest N64eb0722781f4f69a00aedda5b7f62bb
72 N32926ed3e9bf41e0b18d84e23bf31b7e schema:name dimensions_id
73 schema:value pub.1024052514
74 rdf:type schema:PropertyValue
75 N5774c9cc37c84f89940e3933ccce4686 schema:volumeNumber 35
76 rdf:type schema:PublicationVolume
77 N64eb0722781f4f69a00aedda5b7f62bb rdf:first sg:person.07535265367.87
78 rdf:rest Nd57c7dcbd1de4fed82e354792434c27f
79 Nca2a0c61a1cd41c7b6097947c44adb03 schema:name Springer Nature - SN SciGraph project
80 rdf:type schema:Organization
81 Nd57c7dcbd1de4fed82e354792434c27f rdf:first sg:person.01047475616.15
82 rdf:rest rdf:nil
83 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
84 schema:name Chemical Sciences
85 rdf:type schema:DefinedTerm
86 anzsrc-for:0302 schema:inDefinedTermSet anzsrc-for:
87 schema:name Inorganic Chemistry
88 rdf:type schema:DefinedTerm
89 sg:journal.1294773 schema:issn 0132-344X
90 1608-3318
91 schema:name Russian Journal of Coordination Chemistry
92 schema:publisher Pleiades Publishing
93 rdf:type schema:Periodical
94 sg:person.01047475616.15 schema:affiliation grid-institutes:grid.182798.d
95 schema:familyName Minyaev
96 schema:givenName R. M.
97 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01047475616.15
98 rdf:type schema:Person
99 sg:person.011277251571.08 schema:affiliation grid-institutes:grid.182798.d
100 schema:familyName Lukov
101 schema:givenName V. V.
102 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011277251571.08
103 rdf:type schema:Person
104 sg:person.01147254073.80 schema:affiliation grid-institutes:grid.182798.d
105 schema:familyName Kogan
106 schema:givenName V. A.
107 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01147254073.80
108 rdf:type schema:Person
109 sg:person.014454430517.25 schema:affiliation grid-institutes:grid.465325.3
110 schema:familyName Starikov
111 schema:givenName A. G.
112 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014454430517.25
113 rdf:type schema:Person
114 sg:person.07535265367.87 schema:affiliation grid-institutes:grid.182798.d
115 schema:familyName Minkin
116 schema:givenName V. I.
117 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.07535265367.87
118 rdf:type schema:Person
119 sg:pub.10.1023/b:ruco.0000022119.12007.9c schema:sameAs https://app.dimensions.ai/details/publication/pub.1003930526
120 https://doi.org/10.1023/b:ruco.0000022119.12007.9c
121 rdf:type schema:CreativeWork
122 sg:pub.10.1038/35071024 schema:sameAs https://app.dimensions.ai/details/publication/pub.1033576786
123 https://doi.org/10.1038/35071024
124 rdf:type schema:CreativeWork
125 grid-institutes:grid.182798.d schema:alternateName Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia
126 Southern Federal University, Rostov-on-Don, Russia
127 schema:name Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia
128 Southern Federal University, Rostov-on-Don, Russia
129 Southern Scientific Center, Russian Academy of Sciences, Rostov-on-Don, Russia
130 rdf:type schema:Organization
131 grid-institutes:grid.465325.3 schema:alternateName Southern Scientific Center, Russian Academy of Sciences, Rostov-on-Don, Russia
132 schema:name Southern Scientific Center, Russian Academy of Sciences, Rostov-on-Don, Russia
133 rdf:type schema:Organization
 




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


...