H. Kobayashi, M. Ogawa, R. Alford, P. L. Choyke, and Y. Urano, New Strategies for Fluorescent Probe Design in Medical Diagnostic Imaging, Chemical Reviews, vol.110, issue.5, pp.2620-2640, 2010.
DOI : 10.1021/cr900263j
URL : http://europepmc.org/articles/pmc3241938?pdf=render

J. Li, D. Yim, W. Jang, and J. Yoon, Recent progress in the design and applications of fluorescence probes containing crown ethers, Chemical Society Reviews, vol.43, issue.9, pp.2437-2458, 2017.
DOI : 10.1039/C4DT01070A

Y. Tan, R. Liu, H. Zhang, R. Peltier, Y. Lam et al., Design and Synthesis of Near-Infrared Fluorescent Probes for, Imaging of Biological Nitroxyl. Sci. Rep, vol.5, p.16979, 2015.

M. Garland, J. J. Yim, and M. Bogyo, A Bright Future for Precision Medicine: Advances in Fluorescent Chemical Probe Design and Their Clinical Application, Cell Chemical Biology, vol.23, issue.1, pp.122-136, 2016.
DOI : 10.1016/j.chembiol.2015.12.003
URL : https://doi.org/10.1016/j.chembiol.2015.12.003

X. Yang, G. Zhou, and W. Wong, Functionalization of phosphorescent emitters and their host materials by main-group elements for phosphorescent organic light-emitting devices, Chemical Society Reviews, vol.14, issue.23, pp.8484-8575, 2015.
DOI : 10.1016/j.orgel.2013.08.006

E. Fresta and R. D. Costa, Beyond traditional light-emitting electrochemical cells ??? a review of new device designs and emitters, Journal of Materials Chemistry C, vol.25, issue.23, pp.5643-5675, 2017.
DOI : 10.1002/adfm.201502962

R. Luo, F. Liu, and H. , Near-Infrared Fluorescent Probes with Large Stokes Shifts for Sensing Zn(II) Ions in Living Cells, ACS Sens. 2016, vol.1, pp.1408-1415

Z. Lou, P. Li, and K. Han, Redox-Responsive Fluorescent Probes with Different Design Strategies, Accounts of Chemical Research, vol.48, issue.5, pp.1358-1368, 2015.
DOI : 10.1021/acs.accounts.5b00009

J. Murtagh, D. O. Frimannsson, and D. F. Shea, Azide Conjugatable and pH Responsive Near-Infrared Fluorescent Imaging Probes, Organic Letters, vol.11, issue.23, pp.5386-5389, 2009.
DOI : 10.1021/ol902140v

D. 'aléo, A. Fages, and F. , Boron Complexes as Solid-State Fluorophores. Display and Imaging, pp.149-174, 2014.

D. 'aléo, A. Felouat, A. Fages, and F. , Boron Difluoride Complexes of 2'-Hydroxychalcones and Curcuminoids as Fluorescent Dyes for Photonic Applications, Adv. Nat. Sci

J. Bañuelos and . Dye, BODIPY Dye, the Most Versatile Fluorophore Ever?, The Chemical Record, vol.50, issue.1, pp.335-348, 2016.
DOI : 10.1039/C4CC05709K

W. A. Morris, T. Liu, and C. L. Fraser, Mechanochromic luminescence of halide-substituted difluoroboron ??-diketonate dyes, Journal of Materials Chemistry C, vol.324, issue.2, pp.352-363, 2015.
DOI : 10.1016/S0370-1573(99)00049-6

A. A. Safonov, A. A. Bagaturyants, and V. A. Sazhnikov, Fluorescence Spectra of (Dibenzoylmethanato)boron Difluoride Exciplexes with Aromatic Hydrocarbons: A Theoretical Study, The Journal of Physical Chemistry A, vol.119, issue.29, pp.8182-8187, 2015.
DOI : 10.1021/acs.jpca.5b03519

M. Giorgi and F. Fages, Two-photon Excited Fluorescence of BF 2 Complexes of Curcumin Analogues: Toward NIR-to-NIR Fluorescent Organic Nanoparticles, J. Mater. Chem. C, vol.2, pp.5208-5215, 2014.
URL : https://hal.archives-ouvertes.fr/hal-01214594

M. Desce and L. Jullien, Diaroyl(methanato)boron Difluoride Compounds as Medium-Sensitive Two-Photon Fluorescent Probes, Chem. Eur. J, vol.10, pp.1445-1455, 2004.

D. Beljonne and X. Feng, Geometric and Electronic Structures of Boron(III)-Cored Dyes

L. Guennic, B. Fages, F. D-'aléo, and A. , Borondifluoride Complexes of Hemicurcuminoids as Bio-Inspired Push-Pull Dyes for Bioimaging, Org. Biomol. Chem, vol.14, pp.1311-1324, 2016.
URL : https://hal.archives-ouvertes.fr/hal-01413409

P. Pantazis and W. Supatto, Advances in whole-embryo imaging: a quantitative transition is underway, Nature Reviews Molecular Cell Biology, vol.459, issue.5, pp.327-339, 2014.
DOI : 10.1038/nature08072
URL : https://hal.archives-ouvertes.fr/hal-00998245

R. Reisfeld, D. Shamrakov, and C. Jorgensen, Photostable solar concentrators based on fluorescent glass films, Solar Energy Materials and Solar Cells, vol.33, issue.4, pp.417-427, 1994.
DOI : 10.1016/0927-0248(94)90002-7

W. Liu, B. Zhou, G. Niu, J. Ge, J. Wu et al., Deep-Red Emissive Crescent-Shaped Fluorescent Dyes: Substituent Effect on Live Cell Imaging, ACS Applied Materials & Interfaces, vol.7, issue.13, pp.7421-7427, 2015.
DOI : 10.1021/acsami.5b01429

C. J. Wood, M. Cheng, C. A. Clark, R. Horvath, I. P. Clark et al., Red-Absorbing Cationic Acceptor Dyes for Photocathodes in Tandem Solar Cells, The Journal of Physical Chemistry C, vol.118, issue.30, pp.16536-16546, 2014.
DOI : 10.1021/jp4119937

A. S. Klymchenko, V. G. Pivovarenko, T. Ozturk, and A. P. Demchenko, Modulation of the solvent-dependent dual emission in 3-hydroxychromones by substituents, New Journal of Chemistry, vol.27, issue.9, pp.1336-1343, 2003.
DOI : 10.1039/b302965d

A. C. Benniston, T. P. Winstanley, H. Lemmetyinen, N. V. Tkachenko, R. W. Harrington et al., Large Stokes Shift Fluorescent Dyes Based on a Highly Substituted Terephthalic Acid Core, Organic Letters, vol.14, issue.6, pp.1374-1377, 2012.
DOI : 10.1021/ol300038e

Y. Chen, J. Zhao, H. Guo, and L. Xie, Geometry Relaxation-Induced Large Stokes Shift in Red-Emitting Borondipyrromethenes (BODIPY) and Applications in Fluorescent Thiol Probes, The Journal of Organic Chemistry, vol.77, issue.5, pp.2192-2206, 2012.
DOI : 10.1021/jo202215x

N. Boens and W. Dehaen, 1,7-Disubstituted Boron Dipyrromethene (BODIPY) Dyes: Synthesis and Spectroscopic Properties, J. Org. Chem, vol.76, pp.8168-8176, 2011.

M. Head-gordon, R. J. Rico, M. Oumi, and T. J. Lee, A doubles correction to electronic excited states from configuration interaction in the space of single substitutions, Chemical Physics Letters, vol.219, issue.1-2
DOI : 10.1016/0009-2614(94)00070-0

Y. M. Rhee and M. Head-gordon, Scaled Second-Order Perturbation Corrections to Configuration Interaction Singles:?? Efficient and Reliable Excitation Energy Methods, The Journal of Physical Chemistry A, vol.111, issue.24
DOI : 10.1021/jp068409j
URL : https://digital.library.unt.edu/ark:/67531/metadc925761/m2/1/high_res_d/949213.pdf

A. Dreuw and M. Wormit, The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states, Wiley Interdisciplinary Reviews: Computational Molecular Science, vol.34, issue.1, pp.82-95, 2015.
DOI : 10.1002/jcc.23377

O. Christiansen, H. Koch, and P. Jørgensen, The second-order approximate coupled cluster singles and doubles model CC2, Chemical Physics Letters, vol.243, issue.5-6, pp.409-418, 1995.
DOI : 10.1016/0009-2614(95)00841-Q

N. Ishikawa and M. Head-gordon, Analytical Gradient of the CIS(D) Perturbative
DOI : 10.1002/qua.560560845

S. Chibani, A. Laurent, B. Le-guennic, and D. Jacquemin, Improving the Accuracy of Excited-State Simulations of BODIPY and Aza-BODIPY Dyes with a Joint SOS-CIS(D) and TD-DFT Approach, Journal of Chemical Theory and Computation, vol.10, issue.10, pp.4574-4582, 2014.
DOI : 10.1021/ct500655k
URL : https://hal.archives-ouvertes.fr/hal-01088605

A. Charaf-eddin, B. Le-guennic, and D. Jacquemin, Excited-states of BODIPY???cyanines: ultimate TD-DFT challenges?, RSC Adv., vol.10, issue.90, pp.49449-49456, 2014.
DOI : 10.1021/ct4009848
URL : https://hal.archives-ouvertes.fr/hal-01088703

E. Zaborova, A. D-'aléo, and F. Fages, Influence of the Electron Donor Groups on the Optical and Electrochemical Properties of Borondifluoride Complexes of Curcuminoid Derivatives: A
URL : https://hal.archives-ouvertes.fr/hal-01779098

L. Guennic, B. Jacquemin, D. Canard, G. Zaborova, E. Fages et al., Ethylene- Analogues of Hemicurcuminoids: Synthesis and Ground and Excited Properties of their Boron Difluoride Complexes. Dyes Pigm, pp.38-47, 2017.

C. Andraud, M. Ponce-vargas, B. Le-guennic, D. Jacquemin, P. Agbo et al., Boron Difluoride Curcuminoid Fluorophores with Enhanced Two-Photon Excited Fluorescence Emission and Versatile Living-Cell Imaging Properties, Chem. Eur. J, vol.22, pp.5219-5232, 2016.
URL : https://hal.archives-ouvertes.fr/hal-01282459

D. 'aléo, A. Gachet, D. Heresanu, V. Giorgi, and M. , Efficient NIR-Light Emission from Solid-State Complexes of Boron Difluoride with 2???-Hydroxychalcone Derivatives, Chemistry - A European Journal, vol.64, issue.40, pp.12764-12772, 2012.
DOI : 10.1107/S0108767307043930

S. Chambon, A. D-'aléo, C. Baffert, G. Wantz, and F. Fages, Solution-Processed Bulk Heterojunction Solar Cells based on BF 2 -Hydroxychalcone Complexes, Chem. Commun, vol.49, pp.2013-3555
DOI : 10.1039/c3cc41351a
URL : https://hal.archives-ouvertes.fr/hal-00869954

N. Synthesis and X. , Diffraction Analysis of Boron Complexes Derived from Hydroxychalcones, J. Mex. Chem. Soc, vol.50, pp.106-113, 2006.

Y. Zhao and D. G. Truhlar, The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals, Theoretical Chemistry Accounts, vol.103, issue.1-3, pp.215-241, 2008.
DOI : 10.1002/ijch.199300041

J. Tomasi, B. Mennucci, and R. Cammi, Quantum Mechanical Continuum Solvation Models, Chemical Reviews, vol.105, issue.8, pp.2999-3093, 2005.
DOI : 10.1021/cr9904009

S. Gabriel and P. J. Stephens, Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules, J. Phys. Chem. A, vol.106, pp.6102-6113, 2002.

C. Curutchet, A. Muñoz-losa, S. Monti, J. Kongsted, G. D. Scholes et al., Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model, Journal of Chemical Theory and Computation, vol.5, issue.7
DOI : 10.1021/ct9001366

R. Cammi and B. Mennucci, Linear response theory for the polarizable continuum model, The Journal of Chemical Physics, vol.110, issue.20, pp.9877-9886, 1999.
DOI : 10.1016/S0065-3276(08)60113-6

M. Cossi and V. Barone, Time-Dependent Density Functional Theory for Molecules in

R. Improta, G. Scalmani, M. J. Frisch, and V. Barone, Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach, The Journal of Chemical Physics, vol.127, issue.7, p.74504, 2007.
DOI : 10.1063/1.1824881

Y. Shao, Z. Gan, and E. Epifanovsky, Advances in molecular quantum chemistry contained in the Q-Chem 4 program package, Molecular Physics, vol.2, issue.2, pp.184-215, 2015.
DOI : 10.1023/A:1008193805436
URL : https://hal.archives-ouvertes.fr/hal-01389004

F. Santoro, R. Improta, A. Lami, J. Bloino, and V. Barone, Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution, The Journal of Chemical Physics, vol.25, issue.8, p.84509, 2007.
DOI : 10.1016/S0370-1573(99)00047-2

F. Santoro, A. Lami, R. Improta, and V. Barone, Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution, The Journal of Chemical Physics, vol.7, issue.18
DOI : 10.1002/jcc.1057

F. Santoro, A. Lami, R. Improta, J. Bloino, and V. Barone, Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg???Teller effect: The Qx band of porphyrin as a case study, The Journal of Chemical Physics, vol.43, issue.22
DOI : 10.1002/9780470141595.ch1

F. Santoro, FCclasses, a fortran 77 code

L. Bahers, T. Adamo, and C. , A Qualitative Index of Spatial Extent in Charge-Transfer Excitations, Journal of Chemical Theory and Computation, vol.7, issue.8, pp.2498-2506, 2011.
DOI : 10.1021/ct200308m

D. Jacquemin, T. Le-bahers, and C. Adamo, What is the ???best??? atomic charge model to describe through-space charge-transfer excitations?, Physical Chemistry Chemical Physics, vol.393, issue.16, pp.5383-5388, 2012.
DOI : 10.1016/j.cplett.2004.06.011

F. Bure?, H. ?ermáková, J. Kulhánek, M. Ludwig, W. Kuznik et al., Structure-Property Relationships and Nonlinear Optical Effects in Donor