title: [Study on the effect of pressure on the molecular structure and pi-electron delocalization of beta-carotene by raman spectroscopy].
abstract: In the present paper, studies on in-situ Raman spectra at high pressure up to 12.85 Gpa were performed on beta-carotene using a diamond anvil cell (DAC), and the effects of pressure on the characteristic peaks and pi-electron delocalization of beta-carotene were discussed. The results showed that Raman frequencies of the main characteristic peaks of beta-carotene shifted to high wavenumber with the increase in pressure. The relation between pressure and the three main characteristic peaks of beta-carotene was given as follows: nu1, (C==C) = 4. 74P + 1511.4, w (C-C) = 2.55P + 157.6 and nu3 (CH3) = 2.25P + 1011.3. Under the pressure of 5.38 GPa, Raman spectrum of nu1 + nu2 sum frequency of beta-carotene was subjected to cleavage. Fuethermore, the degree of relectron decolization was reduced with the increase in pressure, leading to C==C double bond more compressible than C-C bond on the main chain of beta-carotene.
authors.affiliation: College of Physics, Jilin University, Changchun 130023, China. wunn04@imust.cn
authors.forename: Nan-nan
authors.initials: NN
authors.lastname: Wu
authors.affiliation: Key Laboratory of Integrated Exploitation of Bayan Obo Multi-Metal Resources, Inner Mongolia University of Science & Technology, Baotou 014010, China.
authors.forename: Shun-li
authors.initials: SL
authors.lastname: Ouyang
authors.affiliation: College of Physics, Jilin University, Changchun 130023, China.
authors.forename: Zuo-wei
authors.initials: ZW
authors.lastname: Li
mesh_terms: D004583:Electrons; D015394:Molecular Structure; D011312:Pressure; D013059:Spectrum Analysis, Raman; D019207:beta Carotene / Q000737:chemistry*
chemical_list: D019207:beta Carotene