X. Qu, Journal of Materials Chemistry B top picks web collection: ???seeing the unseen: advances in bioimaging and biosensors???, Journal of Materials Chemistry B, vol.4, issue.26, pp.4500-4501, 2016.
DOI : 10.1039/C6TB90078J

N. Erathodiyil and J. Ying, Functionalization of Inorganic Nanoparticles for Bioimaging Applications, Accounts of Chemical Research, vol.44, issue.10, pp.925-935, 2011.
DOI : 10.1021/ar2000327

T. Ozawa, H. Yoshimura, and S. Kim, Advances in Fluorescence and Bioluminescence Imaging, Analytical Chemistry, vol.85, issue.2, pp.590-609, 2013.
DOI : 10.1021/ac3031724

X. Wu and W. Zhu, Stability enhancement of fluorophores for lighting up practical application in bioimaging, Chemical Society Reviews, vol.8, issue.13, pp.4179-4184, 2015.
DOI : 10.1016/j.nantod.2013.06.001

P. Horváth, P. ?ebej, T. ?olomek, and P. Klán, Small-Molecule Fluorophores with Large Stokes Shifts: 9-Iminopyronin Analogues as Clickable Tags, The Journal of Organic Chemistry, vol.80, issue.3, pp.1299-1311, 2015.
DOI : 10.1021/jo502213t

L. Yang, Y. Liu, C. Ma, W. Liu, Y. Li et al., Naphthalene-fused BODIPY with large Stokes shift as saturated-red fluorescent dye for living cell imaging, Dyes and Pigments, vol.122, pp.1-5, 2015.
DOI : 10.1016/j.dyepig.2015.06.006

A. Loudet and K. Burgess, BODIPY Dyes and Their Derivatives:?? Syntheses and Spectroscopic Properties, Chemical Reviews, vol.107, issue.11, pp.4891-4932, 2007.
DOI : 10.1021/cr078381n

G. Ulrich, R. Ziessel, and A. Harriman, The Chemistry of Fluorescent Bodipy Dyes: Versatility Unsurpassed, Angewandte Chemie International Edition, vol.107, issue.7, pp.47-1184, 1201.
DOI : 10.15227/orgsyn.059.0053

I. Tamgho, A. Hasheminasab, J. T. Engle, V. N. Nemykin, and C. J. Ziegler, Chromophore: BOPHY, Journal of the American Chemical Society, vol.136, issue.15, pp.5623-5626, 2014.
DOI : 10.1021/ja502477a

C. Yu, L. Jiao, P. Zhang, Z. Feng, C. Cheng et al., Complexes of Hydrazine???Schiff Base Linked Bispyrrole, Highly Fluorescent BF 2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole, pp.3048-3051, 2014.
DOI : 10.1021/ol501162f

Q. Huaulmé, A. Mirloup, and P. Retailleau, Synthesis of Highly Functionalized BOPHY Chromophores Displaying Large Stokes Shifts, Organic Letters, vol.17, issue.9, pp.2246-2249, 2015.
DOI : 10.1021/acs.orglett.5b00858

Y. Li, H. Zhou, S. Yin, H. Jiang, N. Niu et al., A BOPHY probe for the fluorescence turn-on detection of Cu 2+, Sensors and Actuators B: Chemical, vol.235, pp.33-38, 2016.
DOI : 10.1016/j.snb.2016.05.055

R. Zale?ny, N. A. Murugan, and G. Tian, First-Principles Simulations of One-and Two-Photon Absorption Band Shapes of the Bis(BF 2 ) Core Complex, J. Phys

A. Charaf-eddin and B. Le-guennic, Optical signatures of borico dyes: a TD-DFT analysis, Theoretical Chemistry Accounts, vol.7, issue.8, p.1456, 2014.
DOI : 10.1021/ct200308m

URL : https://hal.archives-ouvertes.fr/hal-00998543

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

S. Chibani, A. D. Laurent, B. Le-guennic, and D. Jacquemin, Excited States of Ladder-Type ??-Conjugated Dyes with a Joint SOS-CIS(D) and PCM-TD-DFT Approach, The Journal of Physical Chemistry A, vol.119, issue.21, pp.5417-5425, 2015.
DOI : 10.1021/jp509700c

URL : https://hal.archives-ouvertes.fr/hal-01389007

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

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.

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

M. Cossi and V. Barone, Time-dependent density functional theory for molecules in liquid solutions, The Journal of Chemical Physics, vol.93, issue.10, pp.4708-4717, 2001.
DOI : 10.1021/ja00181a059

M. Caricato, A corrected-linear response formalism for the calculation of electronic excitation energies of solvated molecules with the CCSD-PCM method, Computational and Theoretical Chemistry, vol.1040, issue.1041, pp.1040-1041
DOI : 10.1016/j.comptc.2014.02.001

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

L. Goerigk, J. Moellmann, and S. Grimme, Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals, Physical Chemistry Chemical Physics, vol.72, issue.22, pp.4611-4620, 2009.
DOI : 10.1007/s002140050269

L. Goerigk and S. Grimme, Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes, The Journal of Chemical Physics, vol.16, issue.18, 2010.
DOI : 10.1021/jp047289h

S. Grimme, L. Goerigk, and R. F. Fink, Spin-component-scaled electron correlation methods, Wiley Interdisciplinary Reviews: Computational Molecular Science, vol.37, issue.6, pp.886-906, 2012.
DOI : 10.1103/PhysRevB.37.785

D. Jacquemin, Duchemin, I. Blase, X. 0-0 Energies Using Hybrid Schemes : Benchmarks of, CC2, and BSE/GW formalisms for 80 Real-Life Compounds. J

I. Moore, B. Autschbach, and J. , Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory, J. Chem. Theory Comput, vol.2013, issue.9, pp.4991-5003

M. Oumi, D. Maurice, T. J. Lee, and M. Head-gordon, A diagnostic for the applicability of the CIS and CIS(D) excitation energy methods, Chemical Physics Letters, vol.279, issue.3-4, pp.151-157, 1997.
DOI : 10.1016/S0009-2614(97)01028-2

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

D. Casanova, F. P. Rotzinger, and M. Grätzel, Computational Study of Promising Organic Dyes for High-Performance Sensitized Solar Cells, Journal of Chemical Theory and Computation, vol.6, issue.4, pp.1219-1227, 2010.
DOI : 10.1021/ct100069q

S. Dyes, T. , and A. , Dyes and Pigments, pp.169-175, 2017.

A. Fihey, A. Favennec, B. Le-guennic, and D. Jacquemin, Investigating the properties of PODIPYs (phosphorus-dipyrromethene) with ab initio tools, Physical Chemistry Chemical Physics, vol.13, issue.14, pp.9358-9366, 2016.
DOI : 10.1021/ol201600s

URL : https://hal.archives-ouvertes.fr/hal-01231169

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

S. Chibani, B. Le-guennic, A. Charaf-eddin, O. Maury, C. Andraud et al., On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes, Journal of Chemical Theory and Computation, vol.8, issue.9, pp.3303-3313, 2012.
DOI : 10.1021/ct300618j

URL : https://hal.archives-ouvertes.fr/hal-00876022

D. Jacquemin, A. Planchat, C. Adamo, and B. Mennucci, TD-DFT Assessment of Functionals for Optical 0???0 Transitions in Solvated Dyes, Journal of Chemical Theory and Computation, vol.8, issue.7, pp.2359-2372, 2012.
DOI : 10.1021/ct300326f

C. Adamo and D. Jacquemin, The calculations of excited-state properties with Time-Dependent Density Functional Theory, Chem. Soc. Rev., vol.63, issue.3, pp.845-856, 2013.
DOI : 10.1146/annurev-physchem-032511-143803

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, p.224311, 2008.
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

S. Mukherjee and P. Thilagar, Effect of alkyl substituents in BODIPYs: a comparative DFT computational investigation, RSC Advances, vol.108, issue.4, pp.2706-2714
DOI : 10.1063/1.475428

C. J. Nemykin and V. N. , Testing the Limits of the BOPHY Platform: Preparation, Characterization, and Theoretical Modeling of BOPHYs and Organometallic BOPHYs with Electron-Withdrawing Groups at ?-Pyrrolic and Bridging Positions, Chem. Eur. J, vol.23, pp.14786-14796, 2017.

R. B. Pansu, G. Clavier, and R. Méallet-renault, Understanding the Spectroscopic Properties and Aggregation Process of a New Emitting Boron Dipyrromethene (BODIPY), J. Phys. Chem. C, vol.117, pp.5373-5385, 2013.
URL : https://hal.archives-ouvertes.fr/hal-00817222

A. P. Green and A. R. Buckley, Solid state concentration quenching of organic fluorophores in PMMA, Physical Chemistry Chemical Physics, vol.71, issue.2, pp.1435-1440, 2015.
DOI : 10.1023/B:JAPS.0000032874.60100.a0

Q. Bellier, S. Pégaz, C. Aronica, B. Le-guennic, C. Andraud et al., Near-Infrared Nitrofluorene Substitued Aza-Boron-dipyrromethenes Dyes, Organic Letters, vol.13, issue.1, pp.22-25, 2011.
DOI : 10.1021/ol102701v

URL : https://hal.archives-ouvertes.fr/hal-01291944

Z. Gao, Y. Hao, M. Zhen, and Y. Chen, A fluorescent dye with large Stokes shift and high stability: synthesis and application to live cell imaging, RSC Advances, vol.115, issue.13, pp.7604-7609, 2017.
DOI : 10.1021/jp207136k

E. Hemmer, A. Benayas, F. Légaré, and F. Vetrone, Exploiting the biological windows: current perspectives on fluorescent bioprobes emitting above 1000 nm, Nanoscale Horizons, vol.5, issue.3, pp.168-184
DOI : 10.1002/anie.201307346

J. Chen, A. Burghart, A. Derecskei-kovacs, and K. Burgess, 4-Difluoro-4-bora-3a,4a-diaza- s-indacene (BODIPY) Dyes Modified for Extended Conjugation and

L. Bucher, S. M. Aly, N. Desbois, P. Karsenti, C. P. Gros et al., Random Structural Modification of a Low-Band-Gap BODIPY-Based Polymer, The Journal of Physical Chemistry C, vol.121, issue.12, pp.6478-6491, 2017.
DOI : 10.1021/acs.jpcc.7b00117

URL : https://hal.archives-ouvertes.fr/hal-01522061

S. Swavey, J. Quinn, M. Coladipietro, K. G. Cox, and M. K. Brennaman, Tuning the photophysical properties of BODIPY dyes through extended aromatic pyrroles, RSC Advances, vol.138, issue.1, pp.173-179, 2017.
DOI : 10.1016/j.saa.2014.12.005

S. Shimizu, T. Lino, Y. Araki, and N. Kobayashi, Pyrrolopyrrole aza-BODIPY analogues: a facile synthesis and intense fluorescence, Chemical Communications, vol.28, issue.16, pp.1621-1623, 2013.
DOI : 10.1021/ma00105a001