J. Zhang, W. Xu, P. Sheng, G. Zhao, and D. Zhu, Organic Donor?Acceptor Complexes as Novel Organic Semiconductors, Accounts of Chemical Research, vol.50, issue.7, pp.1654-1662, 2017.

J. Chen, M. Q. Wang, X. Zhou, L. Yang, W. Li et al., Two-dimensional second-order nonlinear optical spectra: landscape of second-order nonlinear optics, Physical Chemistry Chemical Physics, vol.19, issue.43, pp.29315-29320, 2017.

E. Garmire, Nonlinear optics in daily life, Optics Express, vol.21, issue.25, p.30532, 2013.

J. Raimundo, P. Blanchard, N. Gallego-planas, N. Mercier, I. Ledoux-rak et al., Design and Synthesis of Push?Pull Chromophores for Second-Order Nonlinear Optics Derived from Rigidified Thiophene-Based ?-Conjugating Spacers, The Journal of Organic Chemistry, vol.67, issue.1, pp.205-218, 2002.

S. Chou, H. Kang, S. Chang, K. Wu, G. C. Bazan et al., Cofacial Versus Coplanar Arrangement in Centrosymmetric Packing Dimers of Dipolar Small Molecules: Structural Effects on the Crystallization Behaviors and Optoelectronic Characteristics, ACS Applied Materials & Interfaces, vol.8, issue.28, pp.18266-18276, 2016.

M. Gsaenger, D. Bialas, L. Huang, M. Stolte, and F. Wuerthner, ChemInform Abstract: Organic Semiconductors Based on Dyes and Color Pigments, ChemInform, vol.47, issue.27, pp.3615-3645, 2016.

J. Choi, D. Ahn, K. Y. Oang, D. W. Cho, and H. Ihee, Charge Transfer-Induced Torsional Dynamics in the Excited State of 2,6-Bis(diphenylamino)anthraquinone, The Journal of Physical Chemistry C, vol.121, issue.43, pp.24317-24323, 2017.

D. Berner, C. Klein, M. K. Nazeeruddin, F. De-angelis, M. Castellani et al., Efficient blue light-emitting diodes based on a classical ?push?pull? architecture molecule 4,4?-di-(2-(2,5-dimethoxyphenyl)ethenyl)-2,2?-bipyridine, J. Mater. Chem., vol.16, issue.46, pp.4468-4474, 2006.

S. Kundu and A. Patra, Nanoscale Strategies for Light Harvesting, Chemical Reviews, vol.117, issue.2, pp.712-757, 2016.

V. Malytskyi, J. Simon, L. Patrone, and J. Raimundo, Synthesis, self-assembly and characterization of a novel push?pull thiophene-based chromophore on a gold surface, RSC Advances, vol.5, issue.33, pp.26308-26315, 2015.
URL : https://hal.archives-ouvertes.fr/hal-01132858

D. Zhang, X. Zhan, Z. Wang, J. Pei, G. Zhang et al., J. Org. Chem, pp.759-780, 2012.

T. Higashino and H. Imahori, Porphyrins as excellent dyes for dye-sensitized solar cells: recent developments and insights, Dalton Transactions, vol.44, issue.2, pp.448-463, 2015.

J. Fernández-ariza, M. Urbani, M. Grätzel, M. S. Rodríguez-morgade, M. K. Nazeeruddin et al., An Unsymmetrical, Push-Pull Porphyrazine for Dye-Sensitized Solar Cells, ChemPhotoChem, vol.1, issue.5, pp.164-166, 2016.

W. Lai, C. Li, J. Zhang, F. Yang, F. J. Colberts et al., Diketopyrrolopyrrole-Based Conjugated Polymers with Perylene Bisimide Side Chains for Single-Component Organic Solar Cells, Chemistry of Materials, vol.29, issue.17, pp.7073-7077, 2017.

F. Pierini, M. Lanzi, P. Nakielski, S. Paw?owska, O. Urbanek et al., Single-Material Organic Solar Cells Based on Electrospun Fullerene-Grafted Polythiophene Nanofibers, Macromolecules, vol.50, issue.13, pp.4972-4981, 2017.

H. Aboubakr, C. Praveen, V. Malytskyi, R. Sawadogo, J. Sotiropoulos et al., D/A cruciform bithiophene chromophores as potential molecular scaffolds for optoelectronic applications, Tetrahedron, vol.72, issue.10, pp.1381-1386, 2016.
URL : https://hal.archives-ouvertes.fr/hal-01459057

H. Aboubakr, C. Praveen, V. Malytskyi, R. Sawadogo, J. Sotiropoulos et al., D/A cruciform bithiophene chromophores as potential molecular scaffolds for optoelectronic applications, Tetrahedron, vol.72, issue.10, pp.1381-1386, 2016.
URL : https://hal.archives-ouvertes.fr/hal-01459057

G. Jayamurugan, A. D. Finke, J. Gisselbrecht, C. Boudon, W. B. Schweizer et al., One-Pot Access to Push?Pull Oligoenes by Sequential [2 + 2] Cycloaddition?Retroelectrocyclization Reactions, The Journal of Organic Chemistry, vol.79, issue.1, pp.426-431, 2013.

T. Michinobu, J. C. May, J. H. Lim, C. Boudon, J. Gisselbrecht et al., A new class of organic donor?acceptor molecules with large third-order optical nonlinearities, Chem. Commun., issue.6, pp.737-739, 2005.

R. García, M. Á. Herranz, M. R. Torres, P. A. Bouit, J. L. Delgado et al., Tuning the Electronic Properties of Nonplanar exTTF-Based Push?Pull Chromophores by Aryl Substitution, The Journal of Organic Chemistry, vol.77, issue.23, pp.10707-10717, 2012.

D. T. Rijkers, F. De-prada-lópez, R. M. Liskamp, and F. Diederich, A convenient [2+2] cycloaddition?cycloreversion reaction for the synthesis of 1,1-dicyanobuta-1,3-diene-scaffolded peptides as new imaging chromophores, Tetrahedron Letters, vol.52, issue.51, pp.6963-6967, 2011.

O. Kim, A. Fort, M. Barzoukas, M. Blanchard-desce, and J. Lehn, J. Mater. Chem, vol.9, pp.2227-2232, 1999.

M. C. Gallazzi, F. Toscano, D. Paganuzzi, C. Bertarelli, A. Farina et al., Polythiophenes with Unusual Electrical and Optical Properties Based on Donor Acceptor Alternance Strategy, Macromolecular Chemistry and Physics, vol.202, issue.10, pp.2074-2085, 2001.

T. Mitsumori, K. Inoue, N. Koga, and H. Iwamura, Exchange Interactions between Two Nitronyl Nitroxide or Iminyl Nitroxide Radicals Attached to Thiophene and 2,2'-Bithienyl Rings, Journal of the American Chemical Society, vol.117, issue.9, pp.2467-2478, 1995.

N. , N. Raimundo, J. P. Blanchard, N. Gallego-planas, N. Mercier et al., J. Roncali J. Org. Chem, vol.67, pp.205-218, 2002.

J. K. Williams, D. W. Wiley, and B. C. Mckusick, Additions and Corrections - 1,2,2-Tricyano-1,3-butadienes, Journal of the American Chemical Society, vol.84, issue.24, pp.5001-5001, 1962.

N. D. Epiotis, Electrocyclic reactions. I. Importance of donor-acceptor interactions in thermal intermolecular cycloaddition reactions, Journal of the American Chemical Society, vol.94, issue.6, pp.1924-1934, 1972.

J. G. Kirkwood, Quantum Statistics of Almost Classical Assemblies, Physical Review, vol.45, issue.2, pp.116-117, 1934.

K. J. Laidler and H. Eyring, London-Eyring-Polanyi-Sato (LEPS) Method, Ann. N. Y. Acad. Sci, vol.39, pp.303-339, 2016.

S. Glasstone, K. J. Laidler, and H. Eyring, The Theory of Rate Processes, p.419, 1944.

T. Benincori, E. Brenna, F. Sannicolo, L. Trimarco, G. Moro et al., Conformational effects on electrical and spectroscopic properties of bi-, ter-, and poly-thiophenes, Journal of the Chemical Society, Chemical Communications, issue.8, p.881, 1995.

M. Sato, S. Arita, and K. Kawajiri, One-Electron-Oxidized States of Dihedral-Angle-Controlled 2,2?-Bithiophenes with Terminal Ferrocenyl Groups, Bulletin of the Chemical Society of Japan, vol.88, issue.2, pp.262-270, 2015.

Y. Didane, G. H. Mehl, A. Kumagai, N. Yoshimoto, C. Videlot-ackermann et al., A ?Kite? Shaped Styryl End-Capped Benzo[2,1-b:3,4-b?]dithiophene with High Electrical Performances in Organic Thin Film Transistors, Journal of the American Chemical Society, vol.130, issue.52, pp.17681-17683, 2008.
URL : https://hal.archives-ouvertes.fr/hal-00386897

M. C. Ruiz-delgado, V. Hernández, J. Casado, J. T. López-navarrete, J. Raimundo et al., Vibrational and Quantum-Chemical Study of Push?Pull Chromophores for Second-Order Nonlinear Optics from Rigidified Thiophene-Based ?-Conjugating Spacers, Chemistry - A European Journal, vol.9, issue.15, pp.3670-3682, 2003.

M. C. Ruiz-delgado, J. Casado, V. Hernández, J. T. López-navarrete, J. Orduna et al., Electronic, Optical, and Vibrational Properties of Bridged Dithienylethylene-Based NLO Chromophores, The Journal of Physical Chemistry C, vol.112, issue.8, pp.3109-3120, 2008.
URL : https://hal.archives-ouvertes.fr/hal-00475828

M. C. Ruiz-delgado, V. Hernández, J. Casado, J. T. López-navarrete, J. Raimundo et al., Vibrational study of push?pull chromophores for second-order non-linear optics derived from rigidified thiophene ?-conjugating spacers, Journal of Molecular Structure, vol.651-653, issue.653, pp.151-158, 2003.

Y. Didane, A. Kumagai, N. Yoshimoto, C. Videlot-ackermann, and H. Brisset, Functionalization of ?kite? shaped styryl end-capped benzodithiophene with ketone groups: synthesis, characterization and properties, Tetrahedron, vol.67, issue.9, pp.1628-1632, 2011.
URL : https://hal.archives-ouvertes.fr/hal-00581236

H. Aboubakr, M. G. Tamba, A. K. Diallo, C. Videlot-ackermann, L. Belec et al., Structure properties relationships of liquid crystal bent core organic semiconductors based on benzo[2,1-b:3,4-b?]dithiophene-4,5-dione, Journal of Materials Chemistry, vol.22, issue.43, p.23159, 2012.
URL : https://hal.archives-ouvertes.fr/hal-02533180

M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb et al., Gaussian 09, 2009.

A. D. Becke, Density-functional exchange-energy approximation with correct asymptotic behavior, Physical Review A, vol.38, issue.6, pp.3098-3100, 1988.

F. D. Becke and G. Mutz, Über die Reaktion von Hydroxylamin mit Acrylsäurederivaten, Chemische Berichte, vol.98, issue.4, pp.1322-1324, 1965.

C. Lee, W. Yang, and R. G. Parr, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Physical Review B, vol.37, issue.2, pp.785-789, 1988.

). Y. Zhao and D. G. Truhlar, Theor. Chem. Acc, vol.120, pp.215-241, 2008.

P. C. Hariharan and J. A. Pople, The influence of polarization functions on molecular orbital hydrogenation energies, Theoretica Chimica Acta, vol.28, issue.3, pp.213-222, 1973.

C. Gonzalez, C. Sosa, and H. B. Schlegel, Ab initio study of the addition reaction of the methyl radical to ethylene and formaldehyde, The Journal of Physical Chemistry, vol.93, issue.6, pp.2435-2440, 1989.

C. Gonzalez and H. B. Schlegel, Reaction path following in mass-weighted internal coordinates, The Journal of Physical Chemistry, vol.94, issue.14, pp.5523-5527, 1990.