二羰基茂铁二聚体[CpFe(CO)2]2的中红外泵浦探测光谱

doi:10.3866/PKU.WHXB201202023

Abstract

Abstract: The structural and vibrational dynamics of the non-bridged C≡O stretching vibrations of two different tautomers of dimeric π-cyclopentadienyldicarbonyliron [CpFe(CO)₂]₂ in CH₂Cl₂ were examined using steady-state and femtosecond infrared pump-probe methods at 5-μm wavelength. The two main species in [CpFe(CO)₂]₂ had a cis:trans molar ratio of 1.7, and showed different vibrational and rotational relaxation dynamics. Both species showed biexponential decay in their two C≡O stretching vibrational excited-state populations, with a fast component (<1 ps) and a slow component (20 ps). The former was believed to be related to the rapid dephasing processes of the coherent state caused by broadband excitation, while the latter was the typical lifetime for the C≡O stretching vibrational excited state. Having a significant permanent dipole, the cis structure could interact strongly with solvent, resulting in relatively slower rotational dynamics. Our work demonstrated that the frequency and vibrational-rotational dynamics of the non-bridged C≡O stretching vibrations were very sensitive to both molecular structures and the solvent.

Key words: Dimeric π-cyclopentadienyldicarbonyliron, Femtosecond infrared pump-probe spectroscopy, Vibrational relaxation dynamics, Molecular structural dynamics

MSC2000:

O641

YANG Fan, LIU Ying-Liang, WANG Jian-Ping. Mid-Infrared Pump-Probe Spectroscopy of Dimeric π-Cyclopentadienyl-dicarbonyliron [CpFe(CO)₂]₂[J].Acta Phys. -Chim. Sin., 2012, 28(04): 759-765.

References

(1) Cotton, F. A.; Stammreich, H.;Wilkinson, G. J. Inorg. Nucl. Chem. 1959, 9, 3.

(2) Noack, K. J. Inorg. Nucl. Chem. 1963, 25, 1383.

(3) Bryan, R. F.; Greene, P. T.; Newlands, M. J.; Field, D. S. J. Chem. Soc. A 1970, 3068.
(4) Bullitt, J. G.; Cotton, F. A.; Marks, T. J. Inorg. Chem. 1972, 11, 671.

(5) Cotton, F. A.; Yagupsky, G. Inorg. Chem. 1967, 6, 15.

(6) Mills, O. Acta Crystallogr. 1958, 11, 620.

(7) Kessler, H. Angew. Chem. Int. Edt. 1970, 9, 219.

(8) Bryan, R. F.; Greene, P. T.; Field, D. S.; Newlands, M. J. J. Chem. Soc. D: Chem. Commun. 1969, 1477.

(9) Bullitt, J. G.; Cotton, F. A.; Marks, T. J. J. Am. Chem. Soc. 1970, 92, 2155.

(10) Anna, J. M.; King, J. T.; Kubarych, K. J. Inorg. Chem. 2011, 50, 9273.
(11) Thomas E, B. Coord. Chem. Rev. 2000, 206-207, 419.

(12) George, M.W.; Dougherty, T. P.; Heilweil, E. J. J. Phys. Chem. 1996, 100, 201.

(13) Zhang, S.; Brown, T. L. J. Am. Chem. Soc. 1993, 115, 1779.

(14) Anfinrud, P. A.; Han, C. H.; Lian, T.; Hochstrasser, R. M. J. Phys. Chem. 1991, 95, 574.

(15) Moore, J. N.; Hansen, P. A.; Hochstrasser, R. M. J. Am. Chem. Soc. 1989, 111, 4563.

(16) Moore, B. D.; Poliakoff, M.; Turner, J. J. J. Am. Chem. Soc. 1986, 108, 1819.

(17) Dixon, A. J.; Healy, M. A.; Poliakoff, M.; Turner, J. J. J. Chem. Soc. Chem. Commun. 1986, 994.
(18) Hooker, R. H.; Mahmoud, K. A.; Rest, A. J. J. Chem. Soc. Chem. Commun. 1983, 1022.
(19) Abrahamson, H. B.; Palazzotto, M. C.; Reichel, C. L.;Wrighton, M. S. J. Am. Chem. Soc. 1979, 101, 4123.

(20) Tyler, D. R.; Schmidt, M. A.; Gray, H. B. J. Am. Chem. Soc. 1983, 105, 6018.

(21) Zanni, M. T.; Gnanakaran, S.; Stenger, J.; Hochstrasser, R. M. J. Phys. Chem. B 2001, 105, 6520.

(22) Khalil, M.; Demirdöven, N.; Tokmakoff, A. J. Phys. Chem. A 2003, 107, 5258.

(23) Wang, J.; Chen, J.; Hochstrasser, R. M. J. Phys. Chem. B 2006, 110, 7545.

(24) Wang. J. Chin. Sci .Bull. 2007, 52, 1221. [王建平. 科学通报 2007, 52, 1221.]
(25) Zheng. J. R. Physics 2010, 39, 162. [郑俊荣. 物理2010, 39, 162.]
(26) Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al . Gaussian 03, Revision B.05; Gaussian, Inc., Pittsburgh PA, 2003.
(27) McArdle, P. A.; Manning, A. R. J. Chem. Soc. A 1969, 1498.
(28) McArdle, P.; Manning, A. R. J. Chem. Soc. A 1970, 2128.
(29) Golonzka, O.; Khalil, M.; Demirdöven, N.; Tokmakoff, A. Phys. Rev. Lett. 2001, 86, 2154.

[1]	LI Mi, LIU Lian-Qing, XI Ning, WANG Yue-Chao, DONG Zai-Li, XIAO Xiu-Bin, ZHANG Wei-Jing. Drug-Induced Changes of Topography and Elasticity in Living B Lymphoma Cells Based on Atomic Force Microscopy [J]. Acta Phys. -Chim. Sin., 2012, 28(06): 1502-1508.
[2]	ZHAO Qiang, FENG Da-Cheng. Influence of Transition Metal M (M=Cu, Ag, Au) on the Strength of Halogen Bonding Interaction X…Cl (X=F, Cl, Br) [J]. Acta Phys. -Chim. Sin., 2012, 28(06): 1361-1367.
[3]	QIAO Kang, ZENG Ling-Xiao, JIN Hong-Wei, LIU Zhen-Ming, ZHANG Liang-Ren. QSAR Analysis of Human Adenosine A₃ Receptor Antagonists [J]. Acta Phys. -Chim. Sin., 2012, 28(06): 1509-1519.
[4]	ZHAO Gao-Feng, WANG Yin-Liang, SUN Jian-Min, WANG Yuan-Xu. Geometries, Stabilities and Electronic Properties of Au₁₂M (M=Na, Mg, Al, Si, P, S, Cl) Clusters [J]. Acta Phys. -Chim. Sin., 2012, 28(06): 1355-1360.
[5]	LIU Xiao-Jun, LIN Tao, GAO Shao-Wei, MA Rui, ZHANG Jin-Yue, CAI Xin-Chen, YANG Lei, TENG Feng. TDDFT Investigation and Design for Fluorescent Molecules with Push-Pull Structures [J]. Acta Phys. -Chim. Sin., 2012, 28(06): 1337-1346.
[6]	HU Yan-Bao, PENG Jing-Bo, GU Shuo, PEI Jian-Feng, ZOU Zhong-Mei. Molecular Docking in Xin-Ke-Shu Preparation's Multi-Target Effect on Coronary Heart Disease [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1257-1264.
[7]	WANG Rong, YANG Cheng-Xu, SHI Ying-Guo, SUN Yu-Zeng, LI Guo-Bao, JIN Tou-Nan, QIN Gao-Wu, LIAO Fu-Hui, LIN Jian-Hua. Phase Relationship, Structure and Cationic Distribution of Oxides in the Mn₃O₄-Fe₂O₃ System Synthesized at 1200 ℃ [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1021-1029.
[8]	FAN Xiao-Li, LIU Yan, LIU Chong, LAU Woon-Ming. Reaction Pathways of Acetylene Adsorption on the Ge(001) Surface [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1107-1112.
[9]	CAO Zhen-Feng, CHEN Qi-Bin, LU Yun-Xiang, LIU Hong-Lai, HU Ying. Electronic Absorption Spectra of Meso-Substituted Porphyrins and Their Zinc Derivatives [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1085-1093.
[10]	LI Lan, HU Geng-Shen, LU Ji-Qing, LUO Meng-Fei. Review of Oxygen Vacancies in CeO₂-doped Solid Solutions as Characterized by Raman Spectroscopy [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1012-1020.
[11]	JIANG Qian, CHU Wei, SUN Wen-Jing, LIU Feng-Si, XUE Ying. A DFT Study of Methane Adsorption on Nitrogen-Containing Organic Heterocycles [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1101-1106.
[12]	LI Hui-Xue, WANG Xiao-Feng, LI Zhi-Feng, ZHU Yuan-Cheng. Photolysis Reaction of 2-Phenylbenzo[d]oxazole [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1094-1100.
[13]	WU Lin-Feng, LI Fei-Fei, ZHANG Cong-Jie. Structure and Stability of Compounds with Planar Pentacoordinate Carbons and Planar Tetracoordinate Carbons [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1113-1119.
[14]	ZHANG Ming-Bo, GONG Li-Dong. Evolution of the Molecular Face during the Reaction Process of F^-+CH₃Cl→CH₃F+Cl^- [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1120-1126.
[15]	SUN De-Lin, ZHOU Jian. Dissipative Particle Dynamics Simulations on Mesoscopic Structures of Nafion and PVA/Nafion Blend Membranes [J]. Acta Phys. -Chim. Sin., 2012, 28(04): 909-916.

Mid-Infrared Pump-Probe Spectroscopy of Dimeric π-Cyclopentadienyl-dicarbonyliron [CpFe(CO)₂]₂

PDF (PC)

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Comments

Recommended 10

Mid-Infrared Pump-Probe Spectroscopy of Dimeric π-Cyclopentadienyl-dicarbonyliron [CpFe(CO)2]2

PDF (PC)

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Comments

Recommended 10

Mid-Infrared Pump-Probe Spectroscopy of Dimeric π-Cyclopentadienyl-dicarbonyliron [CpFe(CO)₂]₂