Curriculum Vitae
Caiping
Liu, Ph.D
Postdoctoral Research Associate
Michael B.
Hall Research Group
Department of Chemistry, Texas
A&M University
College Station, TX 77843
Phone: (979) 845-7222
E-mail: caiping.liu@mail.chem.tamu.edu
Research Interests:
Properties and mechanism of
Fe-Fe hydrogenase systems;
Mechanism of the cyclometallation
reaction;
The weak interaction;
Nonlinear optical properties
of organometallic compounds and transition metal clusters;
Electric and optical
properties of organic-inorganic hybrid materials, supramolecular complexes and
small clusters in the framework of DFT;
Improvement of the Effective
Core Potential Basis sets in Gaussian Program;
Education:
2002.9 - 2007.12 Ph.D.
of Physical Chemistry, Fujian
Institute of Research on the Structure of Matter, Chinese Academy of Sciences.
1995.9 - 1999.7 B.S.
of Chemistry, Beijing Normal
University.
Research Experience:
2008.11 - Present Postdoctoral
Research Associate, Department of Chemistry, Texas A&M University.
2002.9 - 2007.12 PhD candidate, Theoretical and Computational Chemistry Group, State Key Laboratory of Structural Chemistry, FIRSM, CAS.
Simulate
and design organometallics and transition metal clusters;
Evaluate
the effect of the ECP Basis Sets and DFT functionals on the excited states and nonlinear
optical properties of organometallics;
Explore
the solvent effect on the electronic absorption spectrum and nonlinear optical properties.
2007.2 - 2007.4 Visit and study in the Department of Theoretical Chemistry, Zernike Institute for
Advanced Materials, University of Groningen, the Netherlands, as an exchange
researcher to carry out the joint research programme "Development and
application of time-dependent density functional theory: non-linear optical
properties of organo-metallic compounds".
Publications:
1. Wu, B. L.; Liu, C. P.; Yuan, D. Q.; Jiang, F. L.; Hong,
M. C., Molecule cleft and squares with binicotinic bishydrazone ligand: Crystal
structures, spectroscopic properties, and calculation. Crystal Growth & Design 2008, 8 (10), 3791-3802.
2. Mang, C. Y.; Zhao, X.; Liu, C. P.; Wu, K. C., Chiral recognitions of
organic small molecules by cobalt(III)-porphyrin. Acta Chimica Sinica 2008, 66 (2), 195-199.
3. Mang, C. Y.; Zhao, X.; He, L. X.; Liu, C. P.; Wu, K. C., Minimum polarizability
principle applied to lowest energy isomers of some gaseous all-metal clusters. Journal of Physical Chemistry A 2008, 112 (7), 1661-1665.
4. Mang, C. Y.; Liu, C. P.; Liu, P.; Zi, J. Q.; Zhou, J.;
Zhao, X.; Wu, K. C., Excited electronic states of dehydro[18]annulene and
dehydrobenzo[18]annulene. Journal of Molecular Structure-Theochem 2008, 857 (1-3), 27-32.
5. Liu, C. P.; Wu, K. C., Ligand effects in
dinitrogen hydrogenation of binuclear zirconium complexes. Chinese Journal of Structural
Chemistry 2008, 27 (2), 238-244.
6. Liu, C. P.; Sa, R. J.; Mang, C. Y.; Li, Q. H.;
Li, F. J.; Wu, K. C., Theoretical investigations of nonlinear optical
properties of transition metal cluster anionsa. Chinese Journal of Structural Chemistry 2008, 27 (8), 955-966.
7. Liu, C. P.; Liu, P.; Wu, K. C., Theoretical
investigations of nonlinear optical properties of the organic and
organometallic phenylacetylene dendrimers. Acta Chimica Sinica 2008, 66 (7), 729-737.
8. Liu, C. P.; Liu, P.; Wu, K. C., Theoretical
investigation of nonlinear optical properties of organicand transition metal
hybrid azobenzene dendrimers. Chinese Journal of Structural Chemistry 2008, 27 (1), 25-34.
9. Liao, R. B.; Liu, C. P.; Sa, R. J.; Li, F. J.; He, J. G.;
Wu, K. C., Theoretical studies on the first hyperpolarizabilities of
one-dimensional donor-bridge-acceptor chromophores and new applications of BLA
in determining molecular first hyperpolarizabilities. Chinese Journal of Structural
Chemistry 2008, 27 (7), 812-818.
10. Liao, R. B.; Liu, C. P.; Sa, R. J.; Li, F. J.; He, J. G.;
Wu, K. C., Theoretical studies on the first hyperpolarizabilities of
one-dimensional donor-bridge-acceptor chromophores. Chinese Journal of Structural
Chemistry 2008, 27 (6), 724-732.
11. He, J. G.; Liu, C. P.; Li, F. J.; Sa, R.; Wu, K. C.,
Size-dependence of stability and optical properties of lead sulfide clusters. Chemical Physics Letters 2008, 457 (1-3), 163-168.
12. Wu, K. C.; Liu, C. P.; Mang, C. Y., Theoretical studies
on vibrational spectra and nonlinear optical property of L-arginine phosphate
monohydrate crystal. Optical
Materials 2007, 29 (9), 1129-1137.
13. Mang, C. Y.; Liu, C. P.; Zhou, J.; Li, Z. G.; Wu, K. C.,
Relative stabilities of all-metal clusters MAl4- (M = Li+, Na+, K+, Rb+, Cs+,
Cu+, Ag+, Au+). Chemical
Physics Letters 2007, 438 (1-3), 20-25.
14. Mang, C. Y.; Huang, B. S.; Liu, C. P.; Wu, K. C., First
hyperpolarizabilities of transition metal sesquifulvalene complexes. Journal of Molecular
Structure-Theochem 2007, 808 (1-3), 145-152.
15. Liao, R. B.; Liu, C. P.; Sa, R. J.; Wu, K. C., Substituting
effect on first hyperpolarizability of R-terminated polysilaacetylene
oligomers. Journal
of Molecular Structure-Theochem 2007, 823 (1-3), 28-33.
16. Li, Q. H.; Sa, R. J.; Liu, C. P.; Wu, K. C., Solvent and
intermolecular effects on first hyperpolarizabilities of organometallic
tungsten-carbonyl complexes, a TDDFT study. Journal of Physical Chemistry A 2007, 111 (32), 7925-7932.
17. Li, F. J.; Liu, C. P.; Liu, C. W.; Wu, K. C., TDDFT study
on electronic excitations and first hyperpolarizabilities of mixed-metal
carbonyl clusters MonIr4-n(mu-CO)(3)(beta(5)-Cp)(n) (n=1,2,3). Molecular Physics 2007, 105 (17-18), 2251-2257.
18. Pan, Y.; Liu, C. P.; Zeng, B. S.; Li, Q. H.; Wu, K. C.,
TDDFT study on electronic absorption spectra and second-order NLO properties of
penta-nuclear planar "open" transition metal cluster complexes. Acta Chimica Sinica 2006, 64 (20), 2039-2045.
19. Han, L.; Yuan, D. Q.; Wu, B. L.; Liu, C. P.; Hong, M. C., Syntheses, structures
and properties of three novel coordination polymers with a flexible
asymmetrical bridging ligand. Inorganica Chimica Acta 2006, 359 (7), 2232-2240.
20. Liu C. P.,
Mang, C. Y.; Wu, K. C., Theoretical investigation of organic-inorganic hybrid
crystal: optical transparency and quadratic harmonic coefficients of
2-amino-5-nitropyridinium chloride. Journal of Computational Methods in Sciences
and Engineering 2006, 6(5,6),
387-395.
21. Wu, B. L.; Yuan, D. Q.; Lou, B. Y.;
Han, L.; Liu, C. P.; Zhang, C. X.; Hong, M. C., Dynamic
formation of coordination polymers versus tetragonal prisms and unexpected
magnetic superexchange coupling mediated by encapsulated anions in the
cobalt(II) 1,3-bis(pyrid-4-ylthio)propan-2-one series. Inorganic Chemistry 2005, 44 (25), 9175-9184.
22. Wu, B. L.; Yuan, D. Q.; Jiang, F.
L.; Han, L.; Lou, B. Y.; Liu,
C. P.; Hong, M. C.,
Effect of conformation and combination of 1,3-bis(4-pyridylthio)propan-2-one
upon coordination architectures: Syntheses, characterizations and properties. European Journal of Inorganic
Chemistry 2005, (7), 1303-1311.
23. Liu, C. P.; Wu, K. C.; Hong, T.; Mang, C. Y.;
Zhang, M. X.; Wei, Y. Q.; Zhou, Z. F.; Zhuang, B. T., Study on ECP basis sets
for calculating nonlinear optical properties of transition metal systems. Acta Chimica Sinica 2005, 63 (6), 465-472.
24. Xu, Y.; Han, L.; Lin, Z. Z.; Liu, C. P.; Yuan, D. Q.; Zhou, Y. F.; Hong, M.
C., Oxidation-state and coordination-site specificity influencing dimensional
extension and properties of two iron complexes with similar helical chains. European Journal of Inorganic
Chemistry 2004, (22), 4457-4462.
25. Zhang, M. X.; Wu K. C.; Liu, C. P., Wei, Y. Q., Computational study on
the exchange-correlation function in density functional theory and optical
nonlinearity of transition-metal complexes. Acta Physica Sinica 2005, 54 (4), 1762-1770.
26. Wu, K. C.; Liu, C. P. Chapter 14. First Principle Studies on Nonlinear
Optical Properties of Inorganic Transition-Metal Clusters. Structural Inorganic
Chemistry. Science Press USA Inc. 2005.
27. Hong, T.; Wu, K. C.; Mang, C. Y.;
Lin, C. S.; Zhang, M. X.; Wei, Y. Q.; Liu, C. P.; Zhou, Z. F.; Zhuang, B. T., TDDFT studies on the
electronic structures and nonlinear optical properties of two Pt complexes. Chinese Journal of Structural
Chemistry 2004, 23 (7), 788-792.
28. Liu, C. P.; Wu, K. C.; Hong, T.;
Mang, C. Y.; Zhang, M. X.; Wei, Y. Q; Zhou, Z. F.; Zhuang, B. T.. Theoretical studies on optical spectra nonlinear
optical property of organotransition metal complex: cis-chloro-dicarbonyl-(4-dimethylamino-pyridyl)-rhodium(I).
Spectroscopy and Spectral Analysis
2004, 11, 183-184.