Exciplex ensemble modulated by excitation mode in intramolecular charge-transfer dyad: effects of temperature, solvent polarity, and wavelength on photochemistry and photophysics of tethered naphthalene-dicyanoethene system.
Aoki, Yoshiaki; Matsuki, Nobuo; Mori, Tadashi; Ikeda, Hiroshi; Inoue, Yoshihisa; Organic letters 16 (2014) 4888–4891; doi:10.1021/ol502394g

data_1517903
_publ_section_title
;
 Exciplex ensemble modulated by excitation mode in intramolecular
 charge-transfer dyad: effects of temperature, solvent polarity, and
 wavelength on photochemistry and photophysics of tethered
 naphthalene-dicyanoethene system.
;
_journal_issue                   18
_journal_name_full               'Organic letters'
_journal_page_first              4888
_journal_page_last               4891
_journal_paper_doi               10.1021/ol502394g
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C18 H16 N2'
_chemical_formula_sum            'C18 H16 N2'
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_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.2127(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   13.4390(3)
_cell_length_b                   7.57747(14)
_cell_length_c                   28.7493(6)
_cell_measurement_reflns_used    17908
_cell_measurement_temperature    213
_cell_measurement_theta_max      68.22
_cell_measurement_theta_min      3.10
_cell_volume                     2904.48(10)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      213
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
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_diffrn_reflns_av_R_equivalents  0.0427
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0956P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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