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Theoretical Designs of Molecular Photonics Materials
Author(s) -
Yi Yuanping,
Zhu Lingyun,
Shuai Zhigang
Publication year - 2008
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200700054
Subject(s) - conjugated system , chemical physics , curse of dimensionality , molecule , chemistry , absorption (acoustics) , polarization (electrochemistry) , acceptor , photonics , molecular geometry , computational chemistry , materials science , molecular physics , polymer , optics , optoelectronics , physics , organic chemistry , condensed matter physics , machine learning , computer science
Different theoretical models for the computation of multiphoton absorption response are described and reviewed. The influences of intrinsic molecular structure parameters on the multiphoton absorption properties for organic conjugated molecules are discussed in terms of: i) the donor/acceptor substitutions; ii) the π conjugation length; iii) the ground‐state polarization mimicking structural character such as bond‐length alternation; iv) the molecular dimensionality; and, v) some other possible factors, such as vibronic coupling and the solvent, as well as aggregation effects. Some theoretical designing strategies for organic materials with large multiphoton cross‐sections are then proposed.