TY - JOUR
T1 - The structure and spectral properties of a squarylium dye, 2,4-bis[(1-n-butyl-2(1H)-quinolylidene)methyl]-1,3-cyclobutadienediylium-1,3- diolate
AU - Bernstein, J.
AU - Tristani-Kendra, M.
AU - Eckhardt, C. J.
PY - 1986/1/1
Y1 - 1986/1/1
N2 - Structural and spectral characterizations of the title compound, 2,4-bis[(1-n-butyl-2(1H)-quinolylidene)methyl]-1,3-cyclobutadienediylium-1,3- diolate (BQMS), a prime candidate for a solar energy material, have been carried out. Crystals are monoclinic, P21/n with a = 9.586 (2) Å, b = 9.730 (2) Å, c = 13.894 (3) Å, β = 99.77 (9)°, and Z = 2. The structure has been solved by direct methods and refined by using 1078 reflections for which F > 2σ(F) with anisotropic temperature factors on the non-hydrogen atoms to R = 0.098 and Rw = 0.074. Quasi-metallic reflection is observed along both principal directions for the (101) and (001) faces. The transition moment is found to be polarized along the long axis of the molecule.
AB - Structural and spectral characterizations of the title compound, 2,4-bis[(1-n-butyl-2(1H)-quinolylidene)methyl]-1,3-cyclobutadienediylium-1,3- diolate (BQMS), a prime candidate for a solar energy material, have been carried out. Crystals are monoclinic, P21/n with a = 9.586 (2) Å, b = 9.730 (2) Å, c = 13.894 (3) Å, β = 99.77 (9)°, and Z = 2. The structure has been solved by direct methods and refined by using 1078 reflections for which F > 2σ(F) with anisotropic temperature factors on the non-hydrogen atoms to R = 0.098 and Rw = 0.074. Quasi-metallic reflection is observed along both principal directions for the (101) and (001) faces. The transition moment is found to be polarized along the long axis of the molecule.
UR - http://www.scopus.com/inward/record.url?scp=0344859966&partnerID=8YFLogxK
U2 - 10.1021/j100278a022
DO - 10.1021/j100278a022
M3 - Article
AN - SCOPUS:0344859966
VL - 90
SP - 1069
EP - 1073
JO - Journal of Physical Chemistry
JF - Journal of Physical Chemistry
SN - 0022-3654
IS - 6
ER -