Macrocyclic functional dyes: Applications to optical disk media, photochemical hole burning and non-linear optics

Seto, Jun’etsu; Tamura, Shin–ichiro; Asai, Nobutoshi; Kishii, Noriyuki; Kijima, Yasunori; Matsuzawa, Nobuyuki

doi:10.1351/pac199668071429

Cited by 52 publications

(33 citation statements)

References 2 publications

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“…[7,8] Finally, the strong triplet excited-state absorption of porphyrins has generated considerable interest in their use for nonlinear absorption and optical-storage applications. [9,10] All this means that investigations of the optical properties and photophysical behavior of porphyrins continue to attract significant interest, particularly in connection with their excited-state dynamics, electronic and vibrational relaxation, energy transfer, and solvent effects. [11][12][13] Free-base porphyrin (FBP) is the smallest macrocycle related to all porphyrinoids.…”

Section: Introductionmentioning

confidence: 99%

Singlet and Triplet Excited States and Intersystem Crossing in Free‐Base Porphyrin: TDDFT and DFT/MRCI Study

2008

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Extensive time-dependent DFT (TDDFT) and DFT/multireference configuration interaction (MRCI) calculations are performed on the singlet and triplet excited states of free-base porphyrin, with emphasis on intersystem crossing processes. The equilibrium geometries, as well as the vertical and adiabatic excitation energies of the lowest singlet and triplet excited states are determined. Single and double proton-transfer reactions in the first excited singlet state are explored. Harmonic vibrational frequencies are calculated at the equilibrium geometries of the ground state and of the lowest singlet and triplet excited states. Furthermore, spin-orbit coupling matrix elements of the lowest singlet and triplet states and their numerical derivatives with respect to nuclear displacements are computed. It is shown that opening of an unprotonated pyrrole ring as well as excited-state single and double proton transfer inside the porphyrin cavity lead to crossings of the potential energy curves of the lowest singlet and triplet excited states. It is also found that displacements along out-of-plane normal modes of the first excited singlet state cause a significant increase of the , , and spin-orbit coupling matrix elements. These phenomena lead to efficient radiationless deactivation of the lowest excited states of free-base porphyrin via intercombination conversion. In particular, the S1-->T1 population transfer is found to proceed at a rate of approximately 10(7) s(-1) in the isolated molecule.

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Section: Introductionmentioning

confidence: 99%

Singlet and Triplet Excited States and Intersystem Crossing in Free‐Base Porphyrin: TDDFT and DFT/MRCI Study

2008

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“…Gd þ3 are used as MRI contrast agents [12]. The chemistry of macrocyclic complexes is also important due to their use as dyes and pigments [13] as well as NMR shift reagents [14]. The amide macrocyclic complexes are of special interest since they can function as catalyst in many oxidation reactions [15].…”

Section: Introductionmentioning

confidence: 99%

Antibacterial activity and spectral studies of trivalent chromium, manganese, iron macrocyclic complexes derived from oxalyldihydrazide and glyoxal

Singh

Kumar

Singh

2009

Journal of Enzyme Inhibition and Medicinal Chemistry

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A new series of complexes is synthesized by template condensation of oxalyldihydrazide and glyoxal in methanolic medium in the presence of trivalent chromium, manganese and iron salts forming complexes of the type:3 , CH 3 COO 21 . The complexes have been characterized with the help of elemental analyses, conductance measurements, magnetic susceptibility measurements, electronic, NMR, infrared and far infrared spectral studies. On the basis of these studies, a five coordinate square pyramidal geometry for these complexes has been proposed. The biological activities of the metal complexes were tested in vitro against a number of pathogenic bacteria and some of the complexes exhibited remarkable antibacterial activities.

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“…Several macrocyclic complexes with a tetra aza macrocyclic ligand, such as cyclen, cyclam or bicyclam were reported to exhibit antitumour activity [12]. The chemistry of macrocyclic complexes is also important due to their use as dyes and pigments [13] as well as NMR shift reagents [14]. Macrocyclic complexes are also well known for their antibacterial and antifungal activities [15,16].…”

Section: Introductionmentioning

confidence: 99%

Template synthesis, spectroscopic studies and biological activities of macrocyclic complexes derived from thiocarbohydrazide and glyoxal

Singh

Kumar

Malik

et al. 2007

Journal of Enzyme Inhibition and Medicinal Chemistry

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A novel series of complexes of the type [M(TML)X 2 ]; where TML is Tetradentate Macrocyclic Ligand; M ¼ Co(II), Ni(II), Cu(II), Zn(II)or Cd(II); X ¼ Cl 2 , CH 3 COO 2 or NO 2 3 have been synthesized by template condensation of glyoxal and thiocarbohydrazide in the presence of divalent metal salts in methanolic medium. The complexes have been characterized by elemental analyses, conductance measurements, molecular weight determination, magnetic measurements, electronic, NMR, infrared and far infrared spectral studies. Electronic spectra along with magnetic moments suggest a six coordinate octahedral geometry for these complexes. The low molar conductance values indicates them to be non-electrolytes. The biological activities of the metal complexes have been tested in vitro against a number of pathogenic bacteria to assess their inhibitory potential.

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Macrocyclic functional dyes: Applications to optical disk media, photochemical hole burning and non-linear optics

Abstract: Abstract

Cited by 52 publications

References 2 publications

Singlet and Triplet Excited States and Intersystem Crossing in Free‐Base Porphyrin: TDDFT and DFT/MRCI Study

Singlet and Triplet Excited States and Intersystem Crossing in Free‐Base Porphyrin: TDDFT and DFT/MRCI Study

Antibacterial activity and spectral studies of trivalent chromium, manganese, iron macrocyclic complexes derived from oxalyldihydrazide and glyoxal

Template synthesis, spectroscopic studies and biological activities of macrocyclic complexes derived from thiocarbohydrazide and glyoxal

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