Femtosecond two-photon absorption spectra and permanent electric dipole moment change of tryptophan, 2-aminopurine and related intrinsic and synthetic fluorophores

2017 ◽  
Author(s):  
Alexander Mikhaylov ◽  
Jake R. Lindquist ◽  
Patrik R. Callis ◽  
Bern Kohler ◽  
Juri Pahapill ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Absorption Spectra ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Photon Absorption ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Permanent Electric Dipole Moment

TD-DFT calculations of one- and two-photon absorption in Coumarin C153 and Prodan: attuning theory to experiment

2017 ◽  
Vol 19 (42) ◽  
pp. 28824-28833 ◽  
Author(s):  
Merle Uudsemaa ◽  
Aleksander Trummal ◽  
Sophie de Reguardati ◽  
Patrik R. Callis ◽  
Aleksander Rebane
Keyword(s):  
Experimental Data ◽  
Dipole Moment ◽  
Dft Calculations ◽  
Electric Dipole ◽  
Photon Absorption ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Permanent Electric Dipole Moment ◽  
Td Dft ◽  
Accurate Experimental Data

TD-DFT calculations of two-photon absorption (2PA) and the permanent electric dipole moment change (Δμ) of C153 and Prodan in toluene and DMSO are benchmarked relative to accurate experimental data to reveal the best performing methods.

scholarly journals Multiphoton spectroscopy: An optical window into molecular electrostatics

2018 ◽  
Vol 190 ◽  
pp. 02009
Author(s):  
Aleksander Rebane
Keyword(s):  
Dipole Moment ◽  
Cross Sections ◽  
Electric Dipole ◽  
Stark Effect ◽  
Dipole Moments ◽  
Photon Absorption ◽  
Good Correspondence ◽  
Two Photon Absorption ◽  
Two Photon ◽  
All Optical

Quantitative knowledge about static molecular electric dipole moments is essential for understanding of intramolecular charge transfer as well as nanometer-scale static electric interactions. However, measuring or determining the molecular electrostatic properties with sufficient accuracy remains a challenging task. In our experiments, we measure the femtosecond two-photon absorption spectra- and cross sections of a range of organic- and organometallic chromophores in solution and use these data to determine the electric dipole moment change in corresponding lowest-energy dipole-allowed transition. Good correspondence of our experimental dipole moments with the quantum-chemical calculations as well as reports by other groups using conventional dipole moment measurement methods suggests that quantitative multiphoton spectroscopy may offer all-optical alternative to the traditional techniques such as Stark effect and electrochromism.

scholarly journals Solute-solvent electronic interaction is responsible for initial charge separation in ruthenium complexes [Ru(bpy)3]2+ and [Ru(phen)3]2+

2019 ◽  
Vol 2 (1) ◽  
Author(s):  
Charles W. Stark ◽  
Aleksander Trummal ◽  
Merle Uudsemaa ◽  
Juri Pahapill ◽  
Matt Rammo ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Charge Separation ◽  
Photon Absorption ◽  
Electronic Interaction ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Permanent Electric Dipole Moment ◽  
Initial Charge ◽  
Solvent Molecules ◽  
Solvent Clusters

Abstract Origin of the initial charge separation in optically-excited Ruthenium(II) tris(bidentate) complexes of intrinsic D3 symmetry has remained a disputed issue for decades. Here we measure the femtosecond two-photon absorption (2PA) cross section spectra of [Ru(2,2′-bipyridine)3]2 and [Ru(1,10-phenanthroline)3]2 in a series of solvents with varying polarity and show that for vertical transitions to the lower-energy 1MLCT excited state, the permanent electric dipole moment change is nearly solvent-independent, Δμ = 5.1–6.3 D and 5.3–5.9 D, respectively. Comparison of experimental results with quantum-chemical calculations of complexes in the gas phase, in a polarizable dielectric continuum and in solute-solvent clusters containing up to 18 explicit solvent molecules indicate that the non-vanishing permanent dipole moment change in the nominally double-degenerate E-symmetry state is caused by the solute-solvent interaction twisting the two constituent dipoles out of their original opposite orientation, with average angles matching the experimental two-photon polarization ratio.

Ab initiocalculations of two-photon absorption spectra in semiconductors

1995 ◽  
Vol 52 (7) ◽  
pp. 4986-4997 ◽  
Author(s):  
Misao Murayama ◽  
Takashi Nakayama
Keyword(s):  
Absorption Spectra ◽  
Photon Absorption ◽  
Two Photon Absorption ◽  
Two Photon

Two-photon absorption spectra of a near-infrared 2-azaazulene polymethine dye: solvation and ground-state symmetry breaking

2013 ◽  
Vol 15 (20) ◽  
pp. 7666 ◽  
Author(s):  
Honghua Hu ◽  
Olga V. Przhonska ◽  
Francesca Terenziani ◽  
Anna Painelli ◽  
Dmitry Fishman ◽  
...  
Keyword(s):  
Symmetry Breaking ◽  
Absorption Spectra ◽  
Ground State ◽  
Near Infrared ◽  
Photon Absorption ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Polymethine Dye

Theoretical studies on the one- and two-photon absorption of tetrabenzoporphyrins and phthalocyanines

2004 ◽  
Vol 82 (1) ◽  
pp. 19-26 ◽  
Author(s):  
Xin Zhou ◽  
Ai-Min Ren ◽  
Ji-Kang Feng ◽  
Xiao-Juan Liu
Keyword(s):  
Dipole Moment ◽  
Cross Sections ◽  
Density Functional ◽  
Transition Dipole Moment ◽  
Photon Absorption ◽  
Transition Dipole ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Order Of Magnitude ◽  
The One

The one-photon absorption (OPA) properties of tetrabenzoporphyrins (TBPs) and phthalocyanines (Pcs) were studied using the semiempirical ZINDO method and time-dependent density functional theory (TDDFT), respectively. The compared results confirmed that the semiempirical ZINDO method was reasonably reliable when calculating the OPA of tetrabenzoporphyrins and phthalocyanines. On the basis of the OPA properties obtained from the ZINDO method, two-photon absorption (TPA) properties of two series of molecules were investigated, using ZINDO and sum-over-states (SOS) methods. The results showed that the TPA cross-sections of all molecules were in the range of 220.6 × 10–50 – 345.9 × 10–50 cm4·s·photon–1, which were in the same order of magnitude as the values reported in the literature. The relatively larger δ(ω) value for Pcs with respect to that for corresponding TBPs originates from larger intramolecular charge transfer, which can be characterized by the difference of dipole moment between S0 and S1 and the transition dipole moment between S1 and S5.Key words: two-photon absorption, ZINDO, sum-over-states, tetrabenzoporphyrin, phthalocyanines.

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