Yang Group Research Activities
PI - Yang, Dong-Sheng

Current research projects include:

C-H and C-C bond activation of small hydrocarbons
metal-aromatic hydrocarbons and heterocycles
metal-DNA/RNA bases
metal atomic clusters
metal oxide, carbide and nitride clusters

Research Interests
• Molecular structures, spectroscopy, thermochemistry of metal clusters, and organometallic complexes
• Photoelectron, photoionization, and photodissociation spectroscopy
• Photoelectron velocity-map imaging
• Mass spectrometry
• Laser-assisted synthesis
• Computational Chemistry

We study structures and dynamics of building blocks of organometallic networks, supramolecular architectures, and metal nanoclusters. The long-term outcome of our research is a quantitative understanding of how metal centers activate organic molecules and mediate chemical reactions. The research has impact in catalysis, materials synthesis, and environmental and biological technologies.
We use laser vaporization supersonic expansions to produce super-cold molecules, mass spectrometry to measure the mass distribution of reaction products, laser spectroscopy and imaging to determine precise ionization energies, metal-ligand bond energies, and electronic-vibrational and, in some cases, rotational energy levels.

We use ab initio and conformational sampling methods to narrow the search for new molecules and new spectra and to help interpretation of experimental spectra. The combination of the experimental and theoretical methods determines electronic states and molecular structures.

The most significant results from our research activities are the successful applications of pulsed field ionization-zero electron kinetic energy, mass analyzed threshold ionization, and infrared-ultraviolet two-photon ionization and photoelectron velocity-map imaging to metal clusters and complexes. These techniques not only offer high spectral resolution, but also provide the ability to study molecular systems more akin to condensed-phase inorganic and organometallic chemistry. The field is wide open, and we are well positioned as a major player.

Project: Spectroscopy, structures, and electronic states of metal clusters and complexes

Students

Graduate students:
Md A Hogue
Ahamed Ullah
Venkatasayasur Nuti
Sudesh Kumari
Lu Wu
Dilrukshi Hewage
Tao Jin
Wenjin Cao
Sanat Ghosh, Added 07/01/2021

Priya Karna, on MCC, Added 11/17/2021

Postdocs:

Ruchira Silva
Beni Dangi
Yang Liu
Silver Nyambo

Kamal K Mishra, Added on LCC resources 04/26/22

Non-UK Collaborators:

David Dixon
Shenggang Li
Tao-Hong Li

Computational Methods: Ab initio, density functional theory, and semiempirical electronic structure methods.

Computational software:

Gaussian
Molpro
NWchem
ADF

Funding:

Research Funding
• National Science Foundation
• Petroleum Research Fund of the American Chemical Society
• Kentucky Science and Engineering Foundation

Publications:

2016 - 2019

S. Wang, W. Sun, D. -S. Yang, and F. Yang, “Conversion of Soybean Waste to Sub-micron Porous-Hollow Carbon Spheres via a Reagent and Template-Free Route”, Mater. Today Energy 13, 50-55 (2019).
Y. Zhang, S. Nyambo, and D.-S. Yang, “Mass-Analyzed Threshold Ionization Spectroscopy of lanthanide imide LnNH (Ln = La and Ce) Radicals from N-H Bond Activation of Ammonia”, J. Chem. Phys. 149, 234301/1-8 (2018).
W. Cao, Y. Zhang, and D. -S. Yang, “La-Mediated Dehydrogenation and C-C Bond Cleavage of 1,4-Pentadiene and 1-Pentyne: Spectroscopy and Formation of La(C5H6) and La(C3H4) Radicals”, J. Organomet. Chem. (Special Issue Dedicated to Richard J. Puddephatt’s 75th Birthday) 880, 187- 195 (2019).
R. L. Calabro, D. –S. Yang, and D. Y. Kim, “Liquid-Phase Laser Ablation Synthesis of Graphene Quantum Dots from Carbon Nano-Onions: Comparison with Chemical Oxidation”, J. Colloid Interface Sci. 527, 132-140 (2018).
5. W. Cao, D. Hewage, and D.-S. Yang, “Spectroscopy and Formation of Lanthanum-Hydrocarbon Radicals formed by Association and Carbon-Carbon Band Cleavage of Isoprene”, J. Chem. Phys. 148, 194302/1-9 (2018).
6. W. Cao, Y. Zhang, S. Nyambo, and D.-S. Yang, “Spectroscopy and Formation of Metal-Hydrocarbon Radicals from Lanthanum-Mediated C-H and C-C Band Activation of 1-Pentene and 2-Pentene” J. Chem. Phys. 149, 034303/1-9 (2018).
7. W. Cao, D. Hewage, and D.-S. Yang, “Lanthanum-Mediated Dehydrogenation of Butenes: Spectroscopy and Formation of La(C4H6) isomer”, J. Chem. Phys. 148, 044312/1-8 (2018).
8. R. Silva, W. Cao, and D.-S. Yang, “Low-Energy Photoelectron Imaging Spectroscopy of Lan(benzene) ( n = 1 and 2)”, J. Phys. Chem. A 121, 8440-8447 (2017).
W. Cao, D. Hewage, and D. –S. Yang, “Lanthanum-Mediated Dehydrogenation of 1- and 2-Butynes: Spectroscopy and Formation of La(C4H4) Isomers”, J. Phys. Chem. A 147, 064303/1-9 (2017).
D. Hewage, W. Cao, S. Kumari, R. Silva, and D.-S. Yang, “Spectroscopy and Formation of Lanthanum-Hydrocarbon Radicals formed by C-C Bond Cleavage and Coupling of Propene”, J. Chem. Phys. 146, 184304/1-8 (2017).
S. Kumari, W. Cao, D. Hewage, R. Silva, and D. -S. Yang, "Mass-Analyzed Threshold Ionization Spectroscopy of Lanthanum-Hydrocarbon Radicals Formed by C-H Bond Activation of Propene”, J. Chem. Phys. 146, 074305/1-8 (2017).
D. Hewage, W. Cao, J. H. Kim, Y. Wang, Y. Liu, and D. –S. Yang, “Spectroscopic Characterization of Nonconcerted [4+2] Cycloaddition of 1,3-Butadiene with Lanthanacyclopropene to form Lanthanum-Benzene in the Gas Phase”, J. Phys. Chem. A 121, 1233-1239 (2017).
D. Hewage, W. Ruchira Silva, Wenjin Cao, and D. –S. Yang, “La-Activated Bicyclo-oligomerization of Acetylene to Naphthalene”, J. Am. Chem. Soc., 138, 2468-2471 (2016).
S. Kumari, W. Cao, Y. Zhang, M. Roudjane, and D. –S. Yang, “Spectroscopic Characterization of Lanthanum-Mediated Dehydrogenation and C-C Bond Coupling of Ethylene”, J. Phys. Chem. A 120, 4482-4489 (2016).
Y. Zhang, M. W. Schmidt, S. Kumari, M. S. Gordon, and D. –S. Yang, “Threshold Ionization and Spin-Orbit Coupling of Ceracyclopropene Formed by Ethylene Dehydrogenation” (Mark S. Gordon Festschrift), J. Phys. Chem. A 120, 6963-6969 (2016).

2013

S. Kumari and D. -S. Yang, "High-Resolution Electron Spectroscopy and Rotational Conformers of Group 6 Metal (Cr, Mo, and W) Bis(mesitylene) Sandwich Complexes" (Invited article, Terry Miller Festschrift), J. Phys. Chem. A (DOI: 10.1021/jp4064998).
S. Kumari, B. Sohnlein, D. Hewage, M. Roudjane, J. Lee, and D. -S. Yang, "Binding Sites and Electronic States of Group 3 Metal-Aniline Complexes probed by High-Resolution Spectroscopy," J. Chem. Phys. 138,224304/1-9 (2013).
X. Wang, J. Lee, and D. -S. Yang, "High-Resolution Electron Spectroscopy and Molecular Structures of Cu-(2,2'-bipyridine) and Cu-(4,4'-bipyridine)" (Invited article, Dennis Salahub Special Issue), Can. J. Chem. 91, 613-620 (2013).
S. Kumari, M. Roudjane, D. Hewage, Y. Liu, and D. -S. Yang, "High-Resolution Electron Spectroscopy of Lanthanide (Ce, Pr, and Nd) Complexes of Cyclooctatetraene: The role of 4f electrons," J. Chem. Phys. 138, 164307/1-9(2013).

2012

L. Wu, C. Zhang, S. Krasnokutski, and D. –S. Yang, “Mass-Analyzed Threshold Ionization and Electronic States of M3O4 (M = Sc, Y, and La),” J. Chem. Phys. 137, 084312/1-7 (2012).
L. Wu, Y. Liu, C. Zhang, S. Li, D. A. Dixon, and D. –S. Yang, “Mass-Analyzed Threshold Ionization and Excited State of Lanthanum Dioxide,“ J. Chem. Phys. 137, 034307/1-8 (2012).
Y. Lei, L. Wu, B. R. Sohnlein, and D. –S. Yang, “High-Spin Electronic States of Lanthanum-Arene Complexes: Nd(benzene) and Nd(naphthalene),“ J. Chem. Phys. 136, 204311/1-8 (2012).
M. Roudjane, S. Kumari, and D.-S. Yang, “Electronic States and Metal-Ligand Bonding of Gadolinium Complexes of Benzene and Cyclo-octatetraene,” J. Phys. Chem. A 116, 839-845 (2012).
Y. Liu, S. Li, B. R. Sohnlein, S. Kumari, M. Roudjane, and D. –S. Yang, “Electronic States and Pseudo Jahn-Teller Distortion of Heavy Metal-Monobenzene Complexes: M(C6H6) (M = Y, La, and Lu,” J. Chem. Phys. 136, 134310/1-9 (2012).
Yang Liu, Sudesh Kumari, Mourad Roudjane, Shenggang Li, Dong-Sheng Yang "Electronic states and pseudo Jahn-Teller distortion of heavy metal-monobenzene complexes: M(C6H6) (M = Y, La, and Lu)" The Journal of chemical physics 04/2012; 136(13):134310. · 3.09 Impact Factor
Sudesh Kumari, Brad Sohnlein, Dong-Sheng Yang Article: "Preferred Metal Binding Site of Aniline" 06/2012.
Sudesh Kumari, Yang Liu, Mourad Roudjane, Dong-Sheng Yang "Electron Spin States and Structures of Lanthanide (Ce, Pr, and Nd) Complexes of Cyclooctateraene" 06/2012.

2011

J. Lee, S. A. krasnokutski, and D. –S. Yang, “High-Resolution Electron Spectroscopy, Preferential Metal-Binding Sites, and Thermochemistry of Lithium Complexes of Polycyclic Aromatic Hydrocarbons,” J. Chem. Phys. 134, 024301/1-9 (2011).
D. –S. Yang, “Probing the Bonding and Structures of Metal-Organic Radicals with Zero Energy Electrons,” Sci. China Chem. (Special Issue: International Year of Chemistry 2011), 54 (12), 1831-1840 (2011).
D. –S. Yang, “High-Resolution Electron Spectroscopy of Metal-Aromatic Complexes," J. Phys. Chem. Lett. (Perspective), 2, 25-33 (2011).
J. S. Lee, Y. Lei, and D. –S. Yang, “Electron-Spin Multiplicities of Transition-Metal Aromatic Radicals and Ions: MC6(CH3)6 and M+C6(CH3)6 (M = Ti, V, and Co), J. Phys. Chem A, 115, 6509-6517 (2011).
N. Mirsaleh-Kohan, W. D. Robertson, R. N. Compton, S. A. Krasnokutski, and D. –S. Yang, “Ionic and Vibrational Properties of an Ultra-Low Ionization Potential Molecule: Tetrakis(dimethylamino)ethylene,” Int. J. Mass Spectrom. 304, 57-65 (2011).
Y. Liu, C. Zhang, L. Wu, S. A. Krasnokutski, and D. –S. Yang, “Electronic States and Spin-Orbit Splitting of Lanthanum Dimer,“ J. Chem. Phys. 135, 034309/1-7 (2011).
Sudesh Kumari, Dong-Sheng Yang, "Dehydrogenation and CH Bond Insertion of Propene: La(eta2-C_3H_4) and HLa (eta3- C_3H_5)" 06/2011.
Sudesh Kumari, Mourad Roudjane, Dong-Sheng Yang "Dehyrogenation of Ethylene: Spectroscopy and Structures of La(C_2H_2) and La(C_4H_6) Complexes" 06/2011.

2010

S. A. Krasnokutski, J. S. Lee, and D. –S. Yang, “High-Resolution Electron Spectroscopy and Structures of Lithium-Nucleobase (Adenine, Uracil, and Thymine) Complexes,” J. Chem. Phys. 132, 044304-1/8 (2010).
J. S. Lee, S. Kumari, and D. –S. Yang, “Conformational Isomers and Isomerization of Group 6 (Cr, Mo, and W) Metal-Bis(toluene) Sandwich Complexes Probed by Variable-Temperature Electron Spectroscopy,” (Invited Article, Klaus Mueller-Dethlefs Festschrift), J. Phys. Chem. A 114, 11277-84 (2010).
J. S. Lee, Y. Lei, S. Kumari, and D. –S. Yang, “Ring Deformation and -Electron Redistribution of Methylbenzenes Induced by Metal Coordination,“ J. Phys. Chem. A 114, 9136-43 (2010).
Jung Sup Lee, Sudesh Kumari, Dong-Sheng Yang, "Conformational isomers and isomerization of group 6 (Cr, Mo, and W) metal-bis(toluene) sandwich complexes probed by variable-temperature electron spectroscopy" The Journal of Physical Chemistry A 10/2010; 114(42):11277-84. · 2.77 Impact Factor.
Jung Sup Lee, Yuxiu Lei, Sudesh Kumari, Dong-Sheng Yang, "Photoelectron and Photoion Spectroscopy of Scandium-Methylbenzene Complexes" 06/2010.
Mourad Roudjane, Sudesh Kumari, Dong-Sheng Yang "Pulsed-Field Ionozation Electron Spectroscopy of Lanthanide (Lu, Gd) Benzene Complexes", 06/2010.

2009

X. Wang and D. –S. Yang, “Bonding and Structures of Copper-Aminopyridine Complexes: High-Resolution Electron Spectroscopy and Ab Initio Calculations,” (Invited Article), Can. J. Chem. (R. J. Puddephatt Special Issue), 87, 297-306 (2009).
B. Reed, C. –S. Lam, Y. –C. Chang, X. Xing, D. –S. Yang, and C. Y. Ng, “A High-Resolution Photoionization Study of 56Fe Using A Vacuum Ultraviolet Laser,” Astrophys. J. 693, 940-945 (2009).
S. A. Krasnokutski and D. –S. Yang,“High-Resolution Electron Spectroscopy and  /  Structures of M(pyridine) and M+(pyridine) (M = Li, Ca, and Sc) Complexes,” J. Chem. Phys.130, 134313/1-8 (2009).
C. Zhang, S. A. Krasnokutski, B. Zhang and D. –S. Yang, “Binding Sites, Rotational Conformers and Electronic States of Sc-C6H5X (X = F, CH3, OH and CN) Probed by Pulsed-Field-Ionization Electron Spectroscopy,” J. Chem. Phys. 131, 054303-1/9 (2009).
J. S. Lee, Y. Lei, S. Kumari, and D. –S. Yang, “Metal Coordination Converts the Tub-Shaped Cyclooctatetraene into an Aromatic Molecule: Electronic States and Half-sandwich Structures of Group III Metal-Cyclooctatetraene Complexes,” J. Chem. Phys. 131, 104304-1/7 (2009).
Jung Sup Lee, Yuxiu Lei, Sudesh Kumari, Dong-Sheng Yang "Metal coordination converts the tub-shaped cyclo-octatetraene into an aromatic molecule: Electronic states and half-sandwich structures of group III metal-cyclo-octatetraene complexes", The Journal of Chemical Physics 09/2009; 131(10). · 3.16 Impact Factor
Article: Half-Sandwich Complexes of Group III (Sc, Y, and La) Metals with Cyclooctateraene Sudesh Kumari, Jung Sup Lee, Dong-Sheng Yang show abstract 06/2009;
Article: Rotational Conformers of Group VI (Cr, Mo, and w) Metal Bis(toluene) Sandwich Complexes. Jung Sup Lee, Sudesh Kumari, Dong-Sheng Yang show abstract 06/2009;

2008

Y. Lei and D.-S. Yang, “Half-Sandwich Structure of Cyclopentadienyl Dialuminum Al2(5-C5H5) from Pulsed-Field Ionization Electron Spectroscopy and Ab Initio Calculations,” J. Phys. Chem. A, 112, 1430-1435 (2008).
S. A. Krasnokutski, Y. Lei, J. S. Lee, and D. –S. Yang, “Pulsed-Field Ionization Photoelectron and IR-UV Resonant Photoionization Spectroscopy of Al-Thymine,” J. Chem. Phys. 129, 124309/1-124309/9 (2008).

Grants

2016 - 2019

D.-S. Yang (PI), “Photoionization and Photoelectron Spectroscopy of Transient Organometallic Complexes”, National Science Foundation (1800316), $390,000, 08/15/2018 – 07/31-2021.
D. -S. Yang (PI), "Spectroscopy and Imaging of Organometallic Complexes," National Science Foundation (CHE-1362102), $439,000, 8/1/2014-7/31/2019.
D. –S. Yang (PI), “Photoelectron Velocity-Map Imaging of Transition Metal-Benzene Clusters”, Kentucky Science and Engineering Foundation (KSEF-3563-RDE-019), $30,000, 07/01/2016-06/30/2017.

2010

Yang, Dong-Sheng CHE-1012351 Photoion and Photoelectron Spectroscopy of Metal Clusters and Complexes $445,650 National Science Foundation 9/15/2010 8/31/2014

2013

Yang, Dong-Sheng KSEF-148-502-13-304 KSEF RDE: Spectroscopic Characterization of Metal-Mediated Hydrocarbon Activation $30,000 KY Science and Technology Co Inc 7/1/2013 6/30/2015

2014

Yang, Dong-Sheng CHE-1362102 Spectroscopy and Imaging of Organometallic Radicals National Science Foundation 8/1/2014 00:00:00 7/31/2017 00:00:00 43900