View in EDS

The absorption and fluorescence study of 1,4,5,8-naphthalenetetracarboxy diimides in their low-energy 11B2u and 11B3u electronic states. The Franck–Condon analysis in terms of CASSCF method

Saved in:
Bibliographic Details
Title: The absorption and fluorescence study of 1,4,5,8-naphthalenetetracarboxy diimides in their low-energy 11B2u and 11B3u electronic states. The Franck–Condon analysis in terms of CASSCF method
Authors: Sterzel, M.1, Pilch, M.2, Pawlikowski, M.T.1 pawlikow@chemia.uj.edu.pl, Skowronek, P.3, Gawroński, J.3
Source: Chemical Physics Letters. Aug2002, Vol. 362 Issue 3/4, p243. 6p.
Subjects: Electronic structure, Franck-Condon principle
Abstract: The electronic structure of the low-energy states of 1,4,5,8-naphthalenetetracarboxy diimide (1) is investigated in terms of CASSCF method. At this level of approximation the Franck–Condon (FC) parameters were evaluated for the 13 totally symmetric modes of (1) molecule in its dipole-allowed low-energy 11B2u and 11B3u electronic states. These parameters are then employed to simulate the vibrational structures of absorption and fluorescence spectra of N,N′-dibutyl (2) and N,N′-bis-hydroxypropyl (3) derivatives of naphthyl diimides measured in the region corresponding to the low-energy 11Ag → 11B2u and 11Ag → 11B3u overlapping transitions. [Copyright &y& Elsevier]
Copyright of Chemical Physics Letters is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
FullText Text:
  Availability: 0
Header DbId: egs
DbLabel: Engineering Source
An: 7861890
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: The absorption and fluorescence study of 1,4,5,8-naphthalenetetracarboxy diimides in their low-energy <f>1<superscript>1</superscript>B<subscript>2u</subscript></f> and <f>1<superscript>1</superscript>B<subscript>3u</subscript></f> electronic states. The Franck–Condon analysis in terms of CASSCF method
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Sterzel%2C+M%2E%22">Sterzel, M.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Pilch%2C+M%2E%22">Pilch, M.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Pawlikowski%2C+M%2ET%2E%22">Pawlikowski, M.T.</searchLink><relatesTo>1</relatesTo><i> pawlikow@chemia.uj.edu.pl</i><br /><searchLink fieldCode="AR" term="%22Skowronek%2C+P%2E%22">Skowronek, P.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Gawroński%2C+J%2E%22">Gawroński, J.</searchLink><relatesTo>3</relatesTo>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Chemical+Physics+Letters%22">Chemical Physics Letters</searchLink>. Aug2002, Vol. 362 Issue 3/4, p243. 6p.
– Name: Subject
  Label: Subjects
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Electronic+structure%22">Electronic structure</searchLink><br /><searchLink fieldCode="DE" term="%22Franck-Condon+principle%22">Franck-Condon principle</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: The electronic structure of the low-energy states of 1,4,5,8-naphthalenetetracarboxy diimide (1) is investigated in terms of CASSCF method. At this level of approximation the Franck–Condon (FC) parameters were evaluated for the 13 totally symmetric modes of (1) molecule in its dipole-allowed low-energy <f>11B2u</f> and <f>11B3u</f> electronic states. These parameters are then employed to simulate the vibrational structures of absorption and fluorescence spectra of <f>N,N′</f>-dibutyl (2) and <f>N,N′</f>-bis-hydroxypropyl (3) derivatives of naphthyl diimides measured in the region corresponding to the low-energy <f>11Ag → 11B2u</f> and <f>11Ag → 11B3u</f> overlapping transitions. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Chemical Physics Letters is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=7861890
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1016/S0009-2614(02)01074-6
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 6
        StartPage: 243
    Subjects:
      – SubjectFull: Electronic structure
        Type: general
      – SubjectFull: Franck-Condon principle
        Type: general
    Titles:
      – TitleFull: The absorption and fluorescence study of 1,4,5,8-naphthalenetetracarboxy diimides in their low-energy <f>11B2u</f> and <f>11B3u</f> electronic states. The Franck–Condon analysis in terms of CASSCF method
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Sterzel, M.
      – PersonEntity:
          Name:
            NameFull: Pilch, M.
      – PersonEntity:
          Name:
            NameFull: Pawlikowski, M.T.
      – PersonEntity:
          Name:
            NameFull: Skowronek, P.
      – PersonEntity:
          Name:
            NameFull: Gawroński, J.
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 19
              M: 08
              Text: Aug2002
              Type: published
              Y: 2002
          Identifiers:
            – Type: issn-print
              Value: 00092614
          Numbering:
            – Type: volume
              Value: 362
            – Type: issue
              Value: 3/4
          Titles:
            – TitleFull: Chemical Physics Letters
              Type: main
ResultId 1