Structure and spectral properties of a squarylium dye, 2,4-bis((1-n-butyl-2(1H)-quinolylidene)methyl)-1,3-cyclobutadienediylium-1,3-diolate
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, P2/sub 1//n with a = 9.586 (2) A, b = 9.730 (2) A, c = 13.894 (3) A, ..beta.. = 99.77 (9)/sup 0/, and Z = 2. The structure has been solved by direct methods and refined by using 1078 reflections for which F > 2 sigma (F) with anisotropic temperature factors on the non-hydrogen atoms to R = 0.098 and R/sub w/ = 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. 16 references, 5 figures, 1 table.
- Research Organization:
- Ben-Gurion Univ. of the Negev, Beersheva, Israel
- DOE Contract Number:
- FG02-79ER10535
- OSTI ID:
- 6037383
- Journal Information:
- J. Phys. Chem.; (United States), Vol. 90:6
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
14 SOLAR ENERGY
BUTADIENE
CRYSTAL STRUCTURE
VISIBLE SPECTRA
QUINOLINES
ABSORPTION SPECTROSCOPY
EXPERIMENTAL DATA
LATTICE PARAMETERS
MONOCLINIC LATTICES
SPACE GROUPS
TEMPERATURE DEPENDENCE
AROMATICS
AZAARENES
AZINES
CRYSTAL LATTICES
DATA
DIENES
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
INFORMATION
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
POLYENES
PYRIDINES
SPECTRA
SPECTROSCOPY
400301* - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)
140501 - Solar Energy Conversion- Photovoltaic Conversion