Clouthier, Dennis

PI - Clouthier, Dennis (Retiree) - A&S, Chemistry

A focus of study in our group deals with metal-containing (aluminum and boron-containing) reactive intermediates. Catalytic reactions involving metals are central to an immense array of chemical and biochemical processes. These catalytic processes often involve intermediates such as metal intermediates which have proven difficult to characterize experimentally. Although recent progress has been made, both in the characterization of surface-bound species and gas-phase organometallic intermediates, the reactivity of and chemical bonding in these species is far from understood. To address this gap, we are examining the vibrational and electronic spectroscopy of key organometallic species which are intermediates in catalytic reactions involving metals. Our experimental work is supported by theoretical studies whereby ab initio and density functional theory calculations are performed to narrow the search window for spectra of new transient molecules.

Students:

Kalume, Aimable

Software:

In our computational work we will mainly use Gaussian09, MOLPRO and GAMESS packages, to calculate the molecular structures, vibrational frequencies, electronic excitation energies, spin-orbit coupling constants, and transition dipole moments of small molecules at high levels of theory CCSDT and Equations of Motion CCSD EOM with large basis sets (aug-cc-pVTZ or better).

Course CHE547 2013 - Syllabus

CHEMISTRY 547 Fall, 2013
HANDS-ON QUANTUM CHEMISTRY
Note: This course is required for BS Chemistry majors and some graduate students. It is not part of the BA Chemistry curriculum.

Professor: Dennis J. Clouthier
Office: CP-235
Office Hours: Wed and Fri Mornings 10:00-11:00 A. M & 12:00-12:30 PM.
Text: "Quantum Chemistry", Donald A. McQuarrie, University Science Books, Sausalito, CA
Second Edition, (2008).

Course Content:

-Historical background
-Classical mechanics, wave equations, mathematical review
-Schrodinger equation
-Postulates of quantum mechanics
-The particle in a box
-Center of mass coordinates
-Harmonic oscillator
-Angular momentum, particle on a ring, rigid rotator
-The Hydrogen atom
-Perturbation theory
-Variation theory
-Many electron atoms
-Molecules
-Modern quantum chemical calculations: semi-empirical and ab initio methods
-Spectroscopy

Class meetings: MWF, 11:00-11:50 AM, Room CP-208

Students 2013

Abney, Justin C
Bodnar, Stephen Joseph
Camm, Robert C
Cornell, William Kyle
Crocker, Micahel Scott
DeJaco, Robert Ferdinand
Denton, Steven Alexander
Dussex, Dusten Tyler
Earle, Daniel Omar
Eugene, Alexis Jane
Flores, Daniel Mark
Garner, Sarah Catherine
Hackett, Megan Ann
Liang, Zhiming
Lyman, Joseph Daniel
Martin, William Elliott
McLetchie, Sheldon Kalen
Moonschi, Faruk Hossain
Nguyen, Kim D
Shafer, Wilson Davis
Shariaty, Darius Allen
Syafrin, Asri A
Tao, Allan W
Wallace, Damon Keith
Wang, Zhaoshuai
Williams, Matthew Allen
Zhang, Xinyi
Zhang, Yan
Zhang, Yuchen

Course CHE547 2014

Professor: Dennis J. Clouthier
Office: CP-235
Office Hours: Wed and Fri Mornings 10:00-11:00 A. M & 12:00-12:30 PM. Text: "Quantum Chemistry", Donald A. McQuarrie, University Science Books, Sausalito, CA
Second Edition, (2008).

Students 2014 CHE547 Section 001

Abeywansha, Thilini ShanthikaGraduate, Doctoral, UK
Chapman, Steven Jeffrey Undergrad - Senior
Chen, Yecang Undergrad - Senior
Detisch, Michael Jesse Graduate, Doctoral, UK
Dodson, Timothy Michael Undergrad - Senior
Easterday, Rosemary Lynn Graduate, Doctoral, UK
Fang, Zhen Graduate, Doctoral, UK
Finn, Tristan Wayne Undergrad - Junior
Hackett, Megan Ann Undergrad - Senior
Harlan, Maegan Kimberly Undergrad - Junior
Heighton, Ashley Nicole Undergrad - Junior
Howell, Nicholas Randolph Undergrad - Senior
Isaacs, James Tucker Undergrad - Senior
Johnson, Grace Hannah Undergrad - Junior
King, Brandon David Undergrad - Junior
Kiser, Matthew Nicholas Undergrad - Junior
Li, Shi Graduate, Doctoral, UK
Lyman, Joseph Daniel Undergrad - Senior
Mazza, Jr., Samuel Mitchell Graduate, Doctoral, UK
Meredith, Luke Thomas Undergrad - Junior
Nigam, Shawn Ravi Undergrad - Senior
Puglisi, Albert Louis Undergrad - Sophomore
Riddle, Alexandra Jade Graduate, Doctoral, UK
Stewart, Bradley Dwayne Graduate, Doctoral, UK
Sweeney, Zachary Scott Undergrad - Senior
Wang, shanshan Graduate, Doctoral, UK
Wanninayake, Namal Graduate, Doctoral, UK
Watkins, Benjamin Clay Undergrad - Junior
Zhang, Zhihui Graduate, Doctoral, UK

Course CHE547 2015

Professor: Dennis J. Clouthier
Office: CP-235
Office Hours: Wed and Fri Mornings 10:00-11:00 A. M & 12:00-12:30 PM. Text: "Quantum Chemistry", Donald A. McQuarrie, University Science Books, Sausalito, CA Second Edition, (2008).

Students 2015 CHE 547 Section 001

Abney, Justin C.
Ai, Qianxiang
Cramer, Jillian Jean
Deng, Weixia
Donohue, Katherine Janae
Dunlap, John Hardin
Fu, Xu
George, Nathaniel Hugh
Han, Ruixin
Holland, Emma Katherine
Hoque, Md Ariful
Jeon, Hayce
Khor, Yoong Tsien
LaPorte, Jerianna Yolanda
Loya, Edward Kirkbride edward.loya@uky.edu
Masud, Abdullah Al
McAteer, Jordan Phillip
Mueller, Rebecca Jane
Nease, Leona Ayano
Nguyen, Thuy Ngoc
Oldland, Thomas Aaron
Paschke, Kimberlyn Elizabeth
Peck, Robert Sterling
Philley, Jordan F
Rana, Md Sohel
Richey, Nathaniel Lewis
Riddle, Alexandra Jade
Roberts, Josiah
Sloan, Madison JoAnne
Stevens, Kimberly Carol
Sun, Bin
Tan, Xiao
Uddin, Md Aslam
Ullah, Ahamed
Younes, Adam
Zhang, Peter Lei

Students enrolled in CHE547F16

CHE547F16Students

Students enrolled in CHE547F16 Course:
CHE 547 Section 001 - Fall
Name
Almasri, Cassandra G Undergrad - Junior
Baker, Annie Jo Undergrad - Senior
Begum, Iris Graduate, Doctoral, UK
Bertrams, Alexander J Undergrad - Junior
Buchanan, Rebekah Undergrad - Senior
Budoi, Megan Hannah Undergrad - Junior
Calloway, Nathaniel Richard Undergrad - Senior
Dang, Dingying Graduate, Doctoral, UK
Darby, Daniel Richard Undergrad - Senior
Duff, Maxwell B Undergrad - Junior
Holland, Emma Katherine Graduate, Doctoral, UK
Kamali, Poorya Graduate, Doctoral, UK
Khor, Yoong Tsien Undergrad - Senior
Koehler, Laura Jane Undergrad - Junior
LaPorte, Jerianna Yolanda Undergrad - Senior
Lay, Erin R Undergrad - Junior
McKinney, Alexander David Undergrad - Senior
Munson, Benjamin James Undergrad - Senior
Pedersen, Kevin Russell Undergrad - Senior
Puglisi, Albert Louis Undergrad - Senior
Sexton, Jaysie Keena Undergrad - Junior
Uddin, Nasir Graduate, Doctoral, UK
Wendroth, Robert Hinrich Undergrad - Senior
Zhang, Yuting Graduate, Doctoral, UK

Students enrolled in CHE547F17 course:

CHE547F17Students
Arroyave, Kristen Jessica - Undergrad - Junior
Becker, Melissa Lynn - Undergrad - Junior
Bertrams, Alexander J - Undergrad - Senior
Betts, Joshua Michael - Undergrad - Junior
Buchanan, Rebekah - Undergrad - Senior
Cheng, Yanda - Undergrad - Junior
Clifford, Courtney Ashtin - Undergrad - Junior
Cox, Zachary B - Graduate Doctoral
Darby, Daniel Richard - Undergrad - Senior
Dean, Kimberly Rose - Graduate Doctoral
Eubanks, III, William L - Undergrad - Junior
Ginn, Madison Paige - Undergrad - Senior
Goodlett, Stephen Merritt - Undergrad - Senior
Graves, Kyle E - Undergrad - Senior
Iwinski, III, Henry John - Undergrad - Junior
Karunasena, Chamikara Dinaruwan - Graduate Doctoral
Keyser, Morgan L - Undergrad - Junior
Kloska, Katherine Anne - Undergrad - Junior
Lay, Erin R - Undergrad - Senior
Mask, Walker - Graduate, Doctoral
Neupane, Khaga Raj - Graduate, Doctoral
Prater, David Sam - Undergrad - Senior
Rhodes, Connor Joseph - Undergrad - Senior
Sandum, Kathryn Lynette - Undergrad - Senior
Smith, William Allen - Undergrad - Junior
Urban, Nathan Alexander - Undergrad - Junior
Zweifel, Zachary Joseph - Undergrad - Junior
wu, yueming - Graduate, Doctoral

Publications

2013

2012

2011

2010

2009 - 2005

D. T. Halfen, D. J. Clouthier and L. M. Ziurys, "Detection of the CCP Radical (X 2Ar) in IRC+10216: A New Interstellar Phosphorus-Containing Species," Astrophys. J. 677, L101-L104 (2008).
S.-G. He and D. J. Clouthier, "Laser Spectroscopy of the Jet-Cooled AsH2 Free Radical." J. Chem. Phys., 126, 154312/1-154312/9 (2007).
F. X. Sunahori, J. Wei and D. J. Clouthier, "Spectroscopic Identification of C2P and C2As, Two New Main Group Dicarbides." J. Am. Chem. Soc., 129, 9600-9601 (2007).
•F. X. Sunahori, X. Zhang and D. J. Clouthier, "Electronic pectroscopy of Jet-Cooled HCP+: Molecular Structure, Phosphorus Hyperfine Structure, and Renner-Teller Analysis," J. Chem. Phys., 127, 104312/1-104312/10 (2007).
S.-G. He and D. J. Clouthier, "The Molecular Structure and a Renner-Teller Analysis of the ground and First Excited Electronic States of the Jet-Cooled CS2+ Molecular Ion." J. Chem. Phys., 124, 084312-1 B 084312-9 (2006).
B. S. Tackett, D. J. Clouthier, K. L. Pacheco and G. A. Schick, "The Ground State Energy Levels and Molecular Structure of Jet-Cooled HGeCl and DGeCl from Single Vibronic Level Emission Spectroscopy." J. Chem. Phys., 124, 124320-1B124320-6 (2006).•B. S. Tackett and D. J. Clouthier, "In Search of the Germanium Halomethylidyne (Ge=C-X; X = F, Cl, Br) Free Radicals: Ab Initio Studies of their Spectroscopic Signatures." J. Chem. Phys., 124, 144308-1B144308-8, (2006).
F. X. Sunahori, X. Zhang and D. J. Clouthier, "The Electronic Spectrum of Jet-Cooled Copper Hydrosulfide (CuSH)." J. Chem. Phys., 125, 084310-1 B084310-9, (2006).
B. S. Tackett, Y. Li, D. J. Clouthier, K. L. Pacheco, G. A. Schick and R. H. Judge, "A Single Vibronic Level Emission Spectroscopic Studies of the Ground State Energy Levels and Molecular Structures of Jet-Cooled HGeBr, DGeBr, HGeI and DGeI." J. Chem. Phys., 125, 114301-1 B 114301-8, (2006).•S.-G. He, D. J. Clouthier, A. G. Adam and D. W. Tokaryk, "A Laser Spectroscopic Study of the X2?g, Ã2?u, and B2S States of BS2: Renner-Teller, Spin-Orbit and K-Resonance Effects." J. Chem. Phys., 122, 194314/1-194314/9 (2005).
B. S. Tackett, D. J. Clouthier, J. N. Landry and W. Jager, "Fourier Transform Microwave Spectroscopy of HSiBr: Exploring the Si-Br Bond Through Quadrupole Hyperfine Coupling." J. Chem. Phys., 122, 214314/1-214314/6 (2005).
S. -G. He and D. J. Clouthier, "Renner-Teller Vibronic Analysis for a Tetra-Atomic Molecule. I. The Effective Hamiltonian and Matrix Elements." J. Chem. Phys., 123, 014316/1-014316/9 (2005).
S.-G. He and D. J. Clouthier, "Renner-Teller Vibronic Analysis for a Tetra-Atomic Molecule. II. The Ground State of the HCCS Free Radical." J. Chem. Phys., 123, 014317/1-014317/10 (2005).
S.-G. He, F. X. Sunahori and D. J. Clouthier, "A Family of New Boron-Containing Free Radicals." J. Am. Chem. Soc., 127, 10814-10815 (2005).
B. S. Tackett and D. J. Clouthier, "Observation of a New Phosphorus-Containing Reactive Intermediate: Electronic Spectroscopy and Excited-State Dynamics of the HPBr Free Radical." J. Chem. Phys., 123, 144304-1B144304-14 (2005).

Class CHE547F15-001

CHE 547 Section 001 8/31/2015 15:17
Name Student Email
Abney, Justin C.
Ai, Qianxiang
Cramer, Jillian
Deng, Weixia
Donohue, Katherine Janae
Dunlap, John Hardin
Fu, Xu
George, Nathaniel Hugh
Han, Ruixin
Holland, Emma Katherine
Hoque, Md Ariful
Jeon, Hayce
Khor, Yoong Tsien
LaPorte, Jerianna Yolanda
Loya, Edward Kirkbride
Masud, Abdullah Al
McAteer, Jordan Phillip
Mueller, Rebecca Jane
Nease, Leona Ayano
Nguyen, Thuy Ngoc
Oldland, Thomas Aaron
Paschke, Kimberlyn Elizabeth
Peck, Robert Sterling
Philley, Jordan F
Rana, Md Sohel
Richey, Nathaniel Lewis
Riddle, Alexandra Jade
Roberts, Josiah
Sloan, Madison JoAnne
Snell, Aaron Alexander
Stevens, Kimberly Carol
Sun, Bin
Tan, Xiao
Uddin, Md Aslam
Ullah, Ahamed
Younes, Adam
Zhang, Peter Lei

Class CHE547F14-001

CHE 547 Section 001
Abeywansha, Thilini Shanthika Graduate, Doctoral, UK
Chapman, Steven Jeffrey Undergrad - Senior
Chen, Yecang Undergrad - Senior
Detisch, Michael Jesse Graduate, Doctoral, UK
Dodson, Timothy Michael Undergrad - Senior
Easterday, Rosemary Lynn Graduate, Doctoral, UK
Fang, Zhen Graduate, Doctoral, UK
Finn, Tristan Wayne Undergrad Junior
Hackett, Megan Ann Undergrad - Senior
Harlan, Maegan Kimberly Undergrad - Junior
Heighton, Ashley Nicole Undergrad - Junior
Howell, Nicholas Randolph Undergrad - Senior
Isaacs, James Tucker Undergrad - Senior
Johnson, Grace Hannah Undergrad - Junior
King, Brandon David Undergrad - Junior
Kiser, Matthew Nicholas Undergrad - Junior
Li, Shi Graduate, Doctoral, UK
Lyman, Joseph Daniel Undergrad - Senior
Mazza, Jr., Samuel Mitchell Graduate, Doctoral, UK
Meredith, Luke Thomas Undergrad - Junior
Nigam, Shawn Ravi Undergrad - Senior
Puglisi, Albert Louis Undergrad - Sophomore
Riddle, Alexandra Jade Graduate, Doctoral, UK
Stewart, Bradley Dwayne Graduate, Doctoral, UK
Sweeney, Zachary Scott Undergrad - Senior
wang, shanshan Graduate, Doctoral, UK
Wanninayake, Namal Graduate, Doctoral, UK
Watkins, Benjamin Clay Undergrad - Junior
Zhang, Zhihui Graduate, Doctoral, UK

Class CHE547F13-001

justin.abney
ady.gaga
robert.camm
william.cornell
michael.crocker
r.dejaco
sdenton
dusten.dussex
daniel.earle
alexis.eugene
daniel.flores
sarah.garner
megan.hackett
zhiming.liang
joseph.lyman
william.martin
turtle
faruk.moonschi
kim.nguyen
wilson.shafer
darius.shariaty
asri.syafrin
allan.tao
damon.wallace
zhaoshuai.wang
mwilliams
xinyi.zhang
Yan Zhang
Yuchen Zhang

Grants

Clouthier, Dennis CHE-1106338 Laser spectroscopy of jet-cooled main group reactive intermediates $422,000 National Science Foundation 8/15/2011 7/31/2014