John Bartmess's Chemistry Homepage
The Negion program(below) IS current and correct.
Undergraduate Research: I am now retired, and am no longer
taking on new undergrad researchers.
Negion 2K23: The Sept 2023 update is now in
place. Both the executable program and the documentation have been updated since Jun 2021
Link to Exact Mass of the Elements project for
ASMS Measurements & Standards committee.
The powerpoints from the Living with
Chemicals Everywhere talk
Secondary: Anderson High School, Cincinnati OH, 1966
Undergraduate: Rice University, Houston, TX, B.A. (Chemistry/ACS Certified) 1970
Graduate: Northwestern University, Evanston IL. Ph.D. (Organic Chemistry) 1975, Professor F.G. Bordwell, Research Advisor
Instructor, Organic Chemistry, Northwestern University, 1974-1975
Postdoctoral Research, University of California Irvine, Irvine CA, with Professor R.T. McIver, Jr., 1975-1977
Assistant Professor, Department of Chemistry, Indiana University, Bloomington IN, Aug 1977 - July 1984
Department of Chemistry, University of Tennessee, Knoxville TN,
Assistant Professor, Aug 1984 - Jul 1986
Associate Professor, Aug 1986 - Aug 1993
Professor, Sept 1993 - June 2018
Emeritus Professor, July 2018 -
Professional Societies and Activities
American Chemical Society (ACS), 1969-
East Tennessee Section, ACS
Alternate Councilor, 1990-92
Nominating Committee, 1996,1999,2000
American Society for Mass Spectrometry (ASMS), 1976-
Measurements and Standards Committee, ASMS 1991-2001,2004-2008
Chair, Fundamentals Interest Group, ASMS, 1993-95,2003-05
Manager, Listserver, Mass Spectrometry Discussions Groups, 1994-95
East Tennessee Mass Spectrometry Discussion Group 1989-2010
Alpha Chi Sigma 1980-
Editor, "Current Awareness Profile on Gas Phase Ion/Molecule Reactions", 1978-1993.
List Manager, mailing of Usenet group sci.techniques.mass-spec 1995-2018
Fields of Current Research Interest
Gas phase ion/molecule reactions
Negative Ion thermochemistry, including collection, evaluation, and maintenance of the
NIST Webbook data on gas phase negative ions.
Computational chemistry, especially of negative ions
Experimental Areas - No Longer Active in Retirement:
Solvation thermochemistry & heats of formation by solution calorimetry
Generation of negative ions by electron attachment/dissociative attachment
Instrumentation development of ICR spectrometry
Development of Fast Atom Bombardment mass spectrometry, using electrochemical techniques
Safety and environmental issues in chemistry, especially dealing with hazardous waste releases to the environment
Abstract of Current Research Efforts
The goal of my research program has always been to gain insight into the role of the
solvent in determining how chemicals react. When analyzing structure-
reactivity relationships, chemists have a tendency to consider only the simple
valence bond pictures of the reactants, that we can draw easily, and often
will ignore solvent effects unless forced to consider them by the evidence. We
have investigated the effect of both aspects, by examining "well-known"
condensed phase reactions in the gas phase, where no solvent is present. It
turns out the the large effects of solvents (and counter-ions) are on
reactions of ions.
To examine such reactions, we used a modified mass spectrometer, called an
ion cyclotron resonance (ICR) spectrometer. This allows gaseous ions to be
trapped in a magnetic field for milliseconds to seconds, allowing them to bump
into neutral molecules and react to form other ions and neutrals. We have
shown that some reactions have the same mechanisms in the gas phase as in
solution, while other reactions require at least one molecule of solvent to
occur. Extensive scales of gas phase acidities and hydrogen bonding strengths
have been measured.
Solution calorimetry was used to relate the gas phase thermochemistry
to the condensed phase, obtaining ionic heats of solvation. We showed that the
concept of "steric hindrance to solvation", as has been claimed to explain the
inversion of aliphatic alcohol acidities from the gas phase to solution, was
instead an entropy effect, due to forced solvent ordering around an ever-more
Development of the ICR instrumentation, involving better methods of pressure
measurement at the ICR cell, and more accurate methods of determining ion
intensity, was also an active area.
In retirement, I am still research-active in terms of the collection and
evaluation of data for the Negative Ion themochemistry database of the
NIST Webbook. I am also still writing up
several projects from pre-retirement, primarily focused on computational chemistry and
physical organic chemistry.
List of Publications
List of Presentations