Why does the orientation of azulene affect the two-photon activity of a porphyrinoid–azulene system?

Rajput, Swati Singh; Raghuvanshi, Nikita; Banana, Tejendra; Yadav, Pooja; Alam, Md. Mehboob

doi:10.1039/d4cp00438h

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d4cp00438h

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Why does the orientation of azulene affect the two-photon activity of a porphyrinoid–azulene system?

Swati Singh Rajput,

Nikita Raghuvanshi,

Tejendra Banana

et al.

Abstract: Attaching a dipolar molecule in a symmetric system induces a major change in the electronic structure which may be reflected as the enhancement of the optical and charge-transfer properties of...

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Cited by 2 publications

References 76 publications

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Effect of meso-pentafluorophenyl group on two-photon absorption in heterocorroles and heterocorrins

Banana,

Rajput,

Chandravanshi

et al. 2024

Phys. Chem. Chem. Phys.

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Effect of meso-pentafluorophenyl group on two-photon absorption in heterocorroles and heterocorrins

Banana,

Rajput,

Chandravanshi

et al. 2024

Phys. Chem. Chem. Phys.

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An inquisitive study on photophysical properties of few modified indole derivatives

Banana,

Rajput,

Chandravanshi

et al. 2024

Mod. Phys. Lett. B

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Indole is an interesting molecule that exists in nature as a part of several important biomolecules including melatonin — a chemical that maintains the circadian rhythm in human body, serotonin — a chemical carrying messages through nerve cells, and tryptophan — an amino acid. It has a benzene ring fused with a pyrrole ring. Similar molecules containing cycloheptene ring fused with pyrrole — called azulene, cyclohepta[b]pyrrole and dihydrocyclohepta[b]pyrrole — also exist. It would be very interesting to see the effect on different properties of the above-mentioned biomolecules, if indole is replaced by azulene or cyclohepta[b]pyrrole or dihydro-cyclohepta[b]pyrrole. This paper precisely investigates such interesting substitutions. We replaced indole in the three biomolecules by azulene, cyclohepta[b]pyrrole, and dihydrocyclohepta[b]pyrrole and studied the corresponding change in acid-dissociation constant, static polarizabilities, first and second hyperpolarizabilities, absorption spectra, fluorescence, charge-transfer, and nature of the first two singlet, and the first two triplet states, using the state-of-the-art (time-dependent) density functional theory. The results are compared with the values obtained for the indole analogues calculated at the same level of theory.

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Why does the orientation of azulene affect the two-photon activity of a porphyrinoid–azulene system?

Abstract: Attaching a dipolar molecule in a symmetric system induces a major change in the electronic structure which may be reflected as the enhancement of the optical and charge-transfer properties of...

Cited by 2 publications

References 76 publications

Effect of meso-pentafluorophenyl group on two-photon absorption in heterocorroles and heterocorrins

Effect of meso-pentafluorophenyl group on two-photon absorption in heterocorroles and heterocorrins

An inquisitive study on photophysical properties of few modified indole derivatives

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