Crystal structure of 1,10-dibromodecane and its infrared intensity in a urea clathrate and in the crystal.
The crystal structure of 1,10-dibromodecane belongs to the monoclinic system and the space group is P2(1)/c with lattice dimensions of a = 5.4574(3) A, b = 5.2814(4) A, c = 21.088(1) A and beta = 92.897(2) degrees and zeta = 2. Infrared spectra of 1,10-dibromodecane in a urea clathrate and in the crystal were observed to investigate the effect of molecular interaction on infrared intensity. The infrared intensity of the CH(2) waggings in the crystalline state is 1.5-1.9 times stronger on the relative basis than that in a urea clathrate, whereas those of CH(2) stretching, CH(2) rocking and CH(2) bending are almost the same in both states. The former enhancement is explained in terms of increase in the bond moment of the C(alpha)H(2) group on the basis of crystal structure and the electrostatic model. The relative intensity of two CH(2) asymmetric stretching changes between the two states. This is also analyzed by the use of the electrostatic model.
Kanesaka
Isao
I
Faculty of Science, Toyama University, Gofuku, Toyama 930-8555, Japan. kanesaka@sci.toyama-u.ac.jp
Matsuzawa
Sachie
S
Ishioka
Tsutomu
T
Kitagawa
Yasuyuki
Y
Ohno
Keiichi
K
D000473:Alkanes / Q000737:chemistry*; D001966:Bromine / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D014508:Urea / Q000737:chemistry*
D000473:Alkanes; D014508:Urea; C012867:decane; D001966:Bromine