Attachment of different donor groups to a cryptand for modulation of two-photon absorption cross-section

Atanu Jana, So Young Jang, Jae Yoon Shin, Arijit Kumar De, Debabrata Goswami, Dongho Kim, Parimal K. Bharadwaj

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Two-photon absorption (TPA) properties of a laterally nonsymmetric aza cryptand with attached side arms have been investigated. This series of Schiff base derivatives supports the mechanistic approach for enhancing the TPA process, which is usually dictated by molecular geometry, π-bridging, derealization length, and corresponding charge-transfer possibilities. The results described here suggest that on increasing the branching units, the TPA cross-section, σ(2), can be tuned to a larger value. The TPA activity is synthetic strategy for designing novel octupolar molecules with high σ(2) values. Theoretical calculations at the B3LYP functional with the 6-31G* basis set under DFT formalism provide supporting evidence that the communication between the side arms through the metal d orbital and more ordered geometry of chromophores leads to a smaller HOMO-LUMO gap, which has a great influence upon the electronic properties of the molecules. "switched on" when a metal atom enters the cavity and serves as a conduit of electronic derealization. The σ(2) value increases as the donor strength increases. The maximum value is obtained on moving from the singlebranched system to the nearly three-fold symmetry. This serves as a useful

Original languageEnglish
Pages (from-to)10628-10638
Number of pages11
JournalChemistry - A European Journal
Volume14
Issue number34
DOIs
Publication statusPublished - 2008 Nov 26

Fingerprint

Photons
Modulation
Metals
Molecules
Schiff Bases
Geometry
Chromophores
Discrete Fourier transforms
Electronic properties
Charge transfer
Derivatives
Atoms
cryptand
Communication

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Organic Chemistry

Cite this

Jana, Atanu ; Jang, So Young ; Shin, Jae Yoon ; De, Arijit Kumar ; Goswami, Debabrata ; Kim, Dongho ; Bharadwaj, Parimal K. / Attachment of different donor groups to a cryptand for modulation of two-photon absorption cross-section. In: Chemistry - A European Journal. 2008 ; Vol. 14, No. 34. pp. 10628-10638.
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Attachment of different donor groups to a cryptand for modulation of two-photon absorption cross-section. / Jana, Atanu; Jang, So Young; Shin, Jae Yoon; De, Arijit Kumar; Goswami, Debabrata; Kim, Dongho; Bharadwaj, Parimal K.

In: Chemistry - A European Journal, Vol. 14, No. 34, 26.11.2008, p. 10628-10638.

Research output: Contribution to journalArticle

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AU - Jang, So Young

AU - Shin, Jae Yoon

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AU - Kim, Dongho

AU - Bharadwaj, Parimal K.

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