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January 2017 Yuge passed his PhD defense!
January 2017 This was a busy month. Yuge's paper
First kinetic study of the atmospherically important reactions BrHg• + NO2 and BrHg• +
HOO was published in Phys. Chem. Chem. Phys.
This same month, Hannah Horowitz at Harvard used Yuge's results to predict
the global cycle of oxidation and reduction of atmospheric mercury.
Weiyao Gu joined the group after finishing his MS at Syracuse University. He plans to do experiments related to
atmospheric mercury chemistry.
Ted spoke at the 35th Northeast Regional Meeting on Kinetics and Dynamics. LK, Weiyao, and Curtis came along.
December 2016 Ted and Jiajue Chai published a review article on alkoxy radical chemistry in
Volume 1 of
Advances in Atmospheric Chemistry.
September 2016 This month say the publication of Abe Schwid's paper
Thermodynamics limits the reactivity of BrHg• radical with
volatile organic compounds in Chem. Phys. Letts.
Also, Yuge submitted his most important results as a manuscript to Phys. Chem. Chem. Phys.
Curtis Wilhelmsen decided to do his Senior Research on atmospheric mercury chemistry.
August 2016 Khoa Lam (LK) joined the group to do calculations on atmospheric mercury chemistry.
Submitted a paper with Abe Schwid (first year undergrad!) on atmospheric chemistry of BrHg•.
Finally polished up Yuan Sha's work on tunneling in 1,5 H-shift
reactions of •OOCH2CH2CH2OOH, which is the prototype for •OOQOOH in combustion.
Yuge Jiao gave another excellent talk on kinetics of BrHg• reactions with NO2
and HOO radicals at 34th Regional Meeting on Kinetics and Dynamics at
Brown University. We got to catch up with Jiajue (who attended) and his
Yuge Jiao refined our understanding of the structures, vibrational frequencies, and energetics of BrHgY compounds in J. Phys. Chem. A. Y=NO2, HOO, ClO, BrO, and IO radicals.
Conference presentations on the kinetics of BrHg reactions! In Yuge Jiao
gave an excellent talk on at the 2015 NorthEast Regional ACS meeting,
and I gave a talk and a poster in China. In August Yuge gave a poster at
the 33rd International Symposium on Free Radicals in Olympic Valley,
Yuge Jiao and Feng Zhang published on reactions of peroxy radicals from
methylbutanoate relevant to combustion. Some unexpected chemistry of the
second-generation radicals! See it in in J. Phys. Chem. A.
Published article in J. Phys. Chem. A on how to used mass spectrometry to detect and quantify the BrHgY compounds we had proposed in 2012.
Jiajue Chai turn in his Ph.D. dissertation and is heading off to a postdoc at Brown. Congratulations!.
Also, two manuscripts were submitted this month. One, submitted to the Journal of Physical
Chemistry A, combines Jiajue's work on absolute rate constants here ESF with
Hongyi's work determing relative rate constants at NCAR. The other manuscript,
submitted to the International Journal of Chemical Kinetics is
Jiajue's work on the pressure and temperature dependence of the reaction of methoxy
radical with NO2.
Jiajue Chai passed the defense of his Ph.D. dissertation. Congratulations!.
Also, Hongyi published her paper on Quantum Chemistry,
Reaction Kinetics, and Tunneling Effects in the Reaction
of Methoxy Radical with O2 in the Journal of Physical Chemistry A.
Hongyi Hu passed the defense of her Ph.D. dissertation. She was also awarded the department's
Michael M. Szwarc Award in Physical Chemistry.
Yuan Sha passed the defense of her M.S. thesis. Congratulations!.
Yue Zeng graduated with her M.S. Congratulations!.
Hongyi's research highlighted at NCAR.
Jiajue Chai presented a poster and Hongyi Hu presented a talk at the ACS National Meeting in Philadelphia.
Jiajue Chai passed his candidacy exam!
Also, three papers appeared this month:
1) Hongyi's first paper, Temperature-Dependent Branching Ratios of
Deuterated Methoxy Radicals (CH2DO•) Reacting With O2,
appears in print in the A. R. Ravishankara special issue of the Jounal of Physical Chemistry A.
2) Cis–Trans Isomerization of Chemically
Activated 1-Methylallyl Radical and Fate of the Resulting 2-Buten-1-peroxy Radical appears online in
the Jounal of Physical Chemistry A ASAP.
3) The group's first paper on atmospheric mercury chemistry
Thermodynamics of reactions of ClHg and BrHg radicals with atmospherically abundant free radicals appears in
Atmospheric Chemistry and Physical Discussions.
June 2012 Jiajue Chai and Hongyi Hu presented a poster.
The poster was presented at the
22nd International Symposium on Gas Kinetics.
Temperature-Dependent Rate constants of regular and fully deuterated methoxy radical
reacting with O2,the poster combined results from 2 experiments:
a) Hongyi's studies, carried out at NCAR, of the rate constant ratios for CH3O• and
CD3O• reacting with O2 versus NO2.
b) Jiajue Chai's direct determination of the rate constant for CH3O• and CD3O•
reacting with NO2.
March 2012 Hongyi Hu's first paper is accepted at
The Journal of Physical Chemistry A!
The papers is an experimental study of the Temperature-Dependent Branching Ratios of
Deuterated Methoxy Radicals (CH2DO•) Reacting With O2.
Ted presented two talks and two posters at the ACS Meeting in San Diego. The actual research
was done by graduate students Hongyi Hu and Yuan Sha, undergraduates Matt Zelie and William
Thornton, and postdoc Feng Zhang.
February 2012 Dr. Feng Zhang is promoted!
Former postdoc Feng Zhang is promoted to a tenure track Research
Associate position at USTC.
October 2011 Cover article in
Physical Chemistry Chemical
Article on tunneling in H-shift reactions of a prototypical
August 2011 Yuge Jiao joins the group as a Ph.D. student.
He is interested in applying computational methods to kinetics and mechanisms of
reactions in atmospheric chemistry.
July 2011 Dr. Feng Zhang returns to China
We will miss Dr. Feng Zhang and wish her well in her new postdoctoral position at USTC in the
research group of Dr. Fei Qi.
July 2011 Presentations by group members
Feng Zhang and Hongyi Hu gave talks on their research at the
7th International Conference on Chemical Kinetics
Ted presented two posters at the 31st International
Symposium on Free Radicals in Port Douglas, Australia.
Matt Zelie presented a poster on atmospheric mercury chemistry at the
10th Annual Conference on Undergraduate Computational Chemistry
March 2011 Presentations by group members
In January, Feng Zhang and Hongyi Hu gave talks on their research at the
29th Regional Kinetics and
In March, Feng Zhang traveled to MIT to present her work to the research group of
Green. Later this month, she will present a talk at the
7th U.S. National Combustion Meeting
in Atlanta, GA.
December 2010 Karen Schmitt passes her M.S. thesis defense!
Karen presented her capstone seminar and then passed the oral defense of here M.S. thesis
on Tuesday, December 14, 2010. Her thesis title is Investigating the Chemical Mechanism
Initiated by Electron Beam Irradiation of VOCs in Air. Congratulations, Karen!
Also this month, Hongyi Hu presented a poster at the
Atmopsheric Chemical Mechanisms
conference at UC-Davis and at the
2010 AGU Fall Meeting.
October 2010 Ted gives a talk at UNH
Ted gave an invited lecture at the Chemistry Department of the
University of New Hampshire this month.
September 2010 Travel by Group members!
Hongyi returned from 8 months spent working with
Geoffrey Tyndall of the
Atmospheric Chemistry Division of NCAR in Boulder,
While in Boulder, Hongyi used FTIR to determine the ratio of products of
the CH2DO• + O2 reaction, which produces
HCH=O (normal formaldhyde) or DCH=O.
The ratio of production of these isotopologues strongly affects atmospheric
HD/H2 ratios, observations of which are used to evaluate the global
budget of molecular hydrogen. She also investigate the competition of alkoxy radicals
reacting with O2 and NO2.
Also this month, Feng visited the research group of
Donald Truhlar at the University of Minnesota.
Dr. Truhlar and his group graciously hosted
Feng for two days to help her learn their software for computing rate constants using
variational transition state theory and multidimensional tunneling.
March 2010 New postdoc joins the group.
Feng Zhang joins the Dibble group as a postdoctoral research
associate. She holds two Ph.D. degrees: one in Physical Chemistry from Beijing Normal
University, and a second in Theoretical Chemistry from the Royal Institute of Biotechnology
in Sweden. She is working on desecribing the reactions of models of peroxy radicals that are
responsible for ingnition of biodiesel fuel.
November 2009 Research of former undergrad highlighted in
Alyson Lanciki (B.S. 2006) is doing her Ph.D. research with Professor Cole-Dai at South Dakota State
University. Her thesis research includes work published in Geophysical Research Letters and
highlighted under "Volcano Chills" in the November 12 issue of Nature. Congratulations, Alyson!
Graduate student Karen Schmitt publishes her first paper!
Karen Schmitt published her first paper, entitled
Towards a Consistent Chemical Kinetic Model of Electron Beam Irradiation of Humid Air in the journal
Plasma Chemistry and Plasma Processing. Congratulations, Karen!
February 2009 The Dibble Mechanism!
Final version of CalTech paper which first names the "Dibble Mechanism" published
Atmospheric Chemistry and Physics!
In 2004, Dr. Dibble published a pair of back-to back papers (see
and here) on the simultaneous double H-atom
transfer reaction in alkoxy radicals from isoprene (2-methyl-1,3-butadiene). This fascinating
reaction appears to
be of real importance in isoprene chemistry.
Department of Chemistry
1 Forestry Drive
Syracuse, NY 13210
(315) 470-6596 (Dr. Dibble)
(315) 470-4780 (Lab)
(315) 470-6856 (fax)
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