Zobrazit v EDS

Simultaneous presence of mono- and bi-cationic bipyridyls within a metal-organic supramolecular host: crystal structure, spectral and Hirshfeld surface analysis

Uloženo v:
Podrobná bibliografie
Název: Simultaneous presence of mono- and bi-cationic bipyridyls within a metal-organic supramolecular host: crystal structure, spectral and Hirshfeld surface analysis
Autoři: Maxcimilan Patra (10974547), Soumen Kumar Dubey (10974550), Sudipta Saha (244084), Corrado Rizzoli (682139), Subham Bhattacharjee (2623891), Rajat Saha (1864312)
Rok vydání: 2022
Témata: Biophysics, Biochemistry, Cell Biology, Cancer, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Metal–organic supramolecular host, 1D supramolecular channel, rectangular cavity, cationic bipyridyl, Hirshfeld surface analysis
Popis: A new supramolecular metal-organic complex, {[Fe(CN) 6 ] 3- (H 2 bipy) 2+ (Hbipy) + ·3H 2 O} (where bipy ipywhere biolecular metal-organic complex, {[Fe(CN)ccepted: 30 October 2022rized by single crystal X-ray crystallographic study (SC-XRD), powder X-ray diffraction (PXRD) and other spectroscopic analysis. Structural analysis reveals that the complex crystallizes in monoclinic space group P 2 1 /c and is a 3 D supramolecular complex. Cyanide-water hydrogen bonding interactions between {Fe(CN) 6 } 3- and guest water molecules form a wave-like 2 D supramolecular layer structure parallel to the crystallographic ac -plane with the formation of rectangular cavities of dimension 10.6 × 9.8 Å. These 2 D layers are further connected by O3W-H2W3···O1W hydrogen bonding interactions to form a 3 D supramolecular structure with the creation of 1 D supramolecular channels along the crystallographic a -axis. The bi-cationic (H 2 bipy) 2+ form two different N + -H···water hydrogen bonding interactions (N8 + -H8···O2W and N7 + -H7···O3W) with two different water molecules and reside within the rectangular cavities. Monocationic (Hbipy) + moieties form a 1 D supramolecular chain structure through repetitive N···H-N + hydrogen bonding interactions and are present within the 1 D supramolecular channels. In addition, these two different types of bipy moieties are interconnected to each other through π···π interactions. Hirshfeld surface analysis and the corresponding 2 D fingerprint plots clearly identify the presence of different types of supramolecular interactions between the two differently charged bipyridyl moieties and the host framework, and N-H/H-N contacts, corresponding to the hydrogen bonding interactions, have a significant contribution to the total surface. Both the absorption and emission spectra of the complex have also been studied.
Druh dokumentu: article in journal/newspaper
Jazyk: unknown
Relation: https://figshare.com/articles/journal_contribution/Simultaneous_presence_of_mono-_and_bi-cationic_bipyridyls_within_a_metal-organic_supramolecular_host_crystal_structure_spectral_and_Hirshfeld_surface_analysis/21758775
DOI: 10.6084/m9.figshare.21758775.v1
Dostupnost: https://doi.org/10.6084/m9.figshare.21758775.v1
Rights: CC BY 4.0
Přístupové číslo: edsbas.2D46CA5B
Databáze: BASE
FullText Text:
  Availability: 0
CustomLinks:
  – Url: https://doi.org/10.6084/m9.figshare.21758775.v1#
    Name: EDS - BASE (s4221598)
    Category: fullText
    Text: View record from BASE
  – Url: https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=EBSCO&SrcAuth=EBSCO&DestApp=WOS&ServiceName=TransferToWoS&DestLinkType=GeneralSearchSummary&Func=Links&author=Patra%20M
    Name: ISI
    Category: fullText
    Text: Nájsť tento článok vo Web of Science
    Icon: https://imagesrvr.epnet.com/ls/20docs.gif
    MouseOverText: Nájsť tento článok vo Web of Science
Header DbId: edsbas
DbLabel: BASE
An: edsbas.2D46CA5B
RelevancyScore: 925
AccessLevel: 3
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 925.000732421875
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Simultaneous presence of mono- and bi-cationic bipyridyls within a metal-organic supramolecular host: crystal structure, spectral and Hirshfeld surface analysis
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Maxcimilan+Patra+%2810974547%29%22">Maxcimilan Patra (10974547)</searchLink><br /><searchLink fieldCode="AR" term="%22Soumen+Kumar+Dubey+%2810974550%29%22">Soumen Kumar Dubey (10974550)</searchLink><br /><searchLink fieldCode="AR" term="%22Sudipta+Saha+%28244084%29%22">Sudipta Saha (244084)</searchLink><br /><searchLink fieldCode="AR" term="%22Corrado+Rizzoli+%28682139%29%22">Corrado Rizzoli (682139)</searchLink><br /><searchLink fieldCode="AR" term="%22Subham+Bhattacharjee+%282623891%29%22">Subham Bhattacharjee (2623891)</searchLink><br /><searchLink fieldCode="AR" term="%22Rajat+Saha+%281864312%29%22">Rajat Saha (1864312)</searchLink>
– Name: DatePubCY
  Label: Publication Year
  Group: Date
  Data: 2022
– Name: Subject
  Label: Subject Terms
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Biophysics%22">Biophysics</searchLink><br /><searchLink fieldCode="DE" term="%22Biochemistry%22">Biochemistry</searchLink><br /><searchLink fieldCode="DE" term="%22Cell+Biology%22">Cell Biology</searchLink><br /><searchLink fieldCode="DE" term="%22Cancer%22">Cancer</searchLink><br /><searchLink fieldCode="DE" term="%22Environmental+Sciences+not+elsewhere+classified%22">Environmental Sciences not elsewhere classified</searchLink><br /><searchLink fieldCode="DE" term="%22Biological+Sciences+not+elsewhere+classified%22">Biological Sciences not elsewhere classified</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+Sciences+not+elsewhere+classified%22">Chemical Sciences not elsewhere classified</searchLink><br /><searchLink fieldCode="DE" term="%22Physical+Sciences+not+elsewhere+classified%22">Physical Sciences not elsewhere classified</searchLink><br /><searchLink fieldCode="DE" term="%22Metal–organic+supramolecular+host%22">Metal–organic supramolecular host</searchLink><br /><searchLink fieldCode="DE" term="%221D+supramolecular+channel%22">1D supramolecular channel</searchLink><br /><searchLink fieldCode="DE" term="%22rectangular+cavity%22">rectangular cavity</searchLink><br /><searchLink fieldCode="DE" term="%22cationic+bipyridyl%22">cationic bipyridyl</searchLink><br /><searchLink fieldCode="DE" term="%22Hirshfeld+surface+analysis%22">Hirshfeld surface analysis</searchLink>
– Name: Abstract
  Label: Description
  Group: Ab
  Data: A new supramolecular metal-organic complex, {[Fe(CN) 6 ] 3- (H 2 bipy) 2+ (Hbipy) + ·3H 2 O} (where bipy ipywhere biolecular metal-organic complex, {[Fe(CN)ccepted: 30 October 2022rized by single crystal X-ray crystallographic study (SC-XRD), powder X-ray diffraction (PXRD) and other spectroscopic analysis. Structural analysis reveals that the complex crystallizes in monoclinic space group P 2 1 /c and is a 3 D supramolecular complex. Cyanide-water hydrogen bonding interactions between {Fe(CN) 6 } 3- and guest water molecules form a wave-like 2 D supramolecular layer structure parallel to the crystallographic ac -plane with the formation of rectangular cavities of dimension 10.6 × 9.8 Å. These 2 D layers are further connected by O3W-H2W3···O1W hydrogen bonding interactions to form a 3 D supramolecular structure with the creation of 1 D supramolecular channels along the crystallographic a -axis. The bi-cationic (H 2 bipy) 2+ form two different N + -H···water hydrogen bonding interactions (N8 + -H8···O2W and N7 + -H7···O3W) with two different water molecules and reside within the rectangular cavities. Monocationic (Hbipy) + moieties form a 1 D supramolecular chain structure through repetitive N···H-N + hydrogen bonding interactions and are present within the 1 D supramolecular channels. In addition, these two different types of bipy moieties are interconnected to each other through π···π interactions. Hirshfeld surface analysis and the corresponding 2 D fingerprint plots clearly identify the presence of different types of supramolecular interactions between the two differently charged bipyridyl moieties and the host framework, and N-H/H-N contacts, corresponding to the hydrogen bonding interactions, have a significant contribution to the total surface. Both the absorption and emission spectra of the complex have also been studied.
– Name: TypeDocument
  Label: Document Type
  Group: TypDoc
  Data: article in journal/newspaper
– Name: Language
  Label: Language
  Group: Lang
  Data: unknown
– Name: NoteTitleSource
  Label: Relation
  Group: SrcInfo
  Data: https://figshare.com/articles/journal_contribution/Simultaneous_presence_of_mono-_and_bi-cationic_bipyridyls_within_a_metal-organic_supramolecular_host_crystal_structure_spectral_and_Hirshfeld_surface_analysis/21758775
– Name: DOI
  Label: DOI
  Group: ID
  Data: 10.6084/m9.figshare.21758775.v1
– Name: URL
  Label: Availability
  Group: URL
  Data: https://doi.org/10.6084/m9.figshare.21758775.v1
– Name: Copyright
  Label: Rights
  Group: Cpyrght
  Data: CC BY 4.0
– Name: AN
  Label: Accession Number
  Group: ID
  Data: edsbas.2D46CA5B
PLink https://erproxy.cvtisr.sk/sfx/access?url=https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsbas&AN=edsbas.2D46CA5B
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.6084/m9.figshare.21758775.v1
    Languages:
      – Text: unknown
    Subjects:
      – SubjectFull: Biophysics
        Type: general
      – SubjectFull: Biochemistry
        Type: general
      – SubjectFull: Cell Biology
        Type: general
      – SubjectFull: Cancer
        Type: general
      – SubjectFull: Environmental Sciences not elsewhere classified
        Type: general
      – SubjectFull: Biological Sciences not elsewhere classified
        Type: general
      – SubjectFull: Chemical Sciences not elsewhere classified
        Type: general
      – SubjectFull: Physical Sciences not elsewhere classified
        Type: general
      – SubjectFull: Metal–organic supramolecular host
        Type: general
      – SubjectFull: 1D supramolecular channel
        Type: general
      – SubjectFull: rectangular cavity
        Type: general
      – SubjectFull: cationic bipyridyl
        Type: general
      – SubjectFull: Hirshfeld surface analysis
        Type: general
    Titles:
      – TitleFull: Simultaneous presence of mono- and bi-cationic bipyridyls within a metal-organic supramolecular host: crystal structure, spectral and Hirshfeld surface analysis
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Maxcimilan Patra (10974547)
      – PersonEntity:
          Name:
            NameFull: Soumen Kumar Dubey (10974550)
      – PersonEntity:
          Name:
            NameFull: Sudipta Saha (244084)
      – PersonEntity:
          Name:
            NameFull: Corrado Rizzoli (682139)
      – PersonEntity:
          Name:
            NameFull: Subham Bhattacharjee (2623891)
      – PersonEntity:
          Name:
            NameFull: Rajat Saha (1864312)
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 01
              Type: published
              Y: 2022
          Identifiers:
            – Type: issn-locals
              Value: edsbas
            – Type: issn-locals
              Value: edsbas.oa
ResultId 1