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Branko M. Ruscic

Chemist,
Chemical Dynamics in the Gas Phase

Argonne National Laboratory
9700 South Cass Avenue
CHM 200, B113
Argonne, IL 60439
Phone: 630-252-4079
Fax: 630-252-4081
Email: ruscic@anl.gov

Areas of Research and Expertise

The study of transient species by photoionization and related
experimental techniques, application of theoretical methods,
application of thermochemical networks, and development of the
concept of active tables. Also, high-temperature photoelectron
spectroscopy and photoionization mass spectrometry of atoms
and small molecules.

Recent Publications

Direct Observation of the Ionization Threshold of Triplet
Methylene by Photoionization Mass Spectrometry,
M. Litorja and B. Ruscic, J. Chem. Phys. 108 (16),
6748-6755 (1998)

Simultaneous Adjustment of Experimentally Based Enthalpies
of Formation of CF3X, X = NIL, H, Cl, Br, I, CF3, CN, and
a Probe of G3 Theory, B. Ruscic, J. V. Michael, P. C. Redfern,
L. A. Curtiss, and K. Raghavachari, J. Phys. Chem. 102 (52),
10889-10899 (1998)

A Photoionization Study of Hydroperoxyl Radical, HO2, and
Hydrogen Peroxide, H2O2,
M. Litorja and B. Ruscic, Invited
Article, J. Electron Spectrosc. 97, 131-146 (1998)

Ionization Energy of Methylene Revisited: Improved Values
for the Enthalpy of Formation of CH2 and the Bond Dissociation
Energy of CH3 via Simultaneous Solution of the Local
Thermochemical Network, B. Ruscic, M. Litorja, and
R. L. Asher, J. Phys. Chem. A 103 (43), 8625-8633 (1999)

Photoionization of HOCO Revisited: A New Upper Limit to
the Adiabatic Ionization Energy and Lower Limit to the Enthalpy
of Formation, B. Ruscic and M. Litorja, Chem. Phys. Lett. 316,
45-50 (2000)

Characterization of Nitrogen-Containing Radical Products from
the Photodissociation of Trimethylamine Using Photoionization
Detection, N. R. Forde. L. J. Butler, B. Ruscic,
O. Sorkhabi,
F. Qi, and A. Suits, J. Chem. Phys. 113 (8), 3088-3097 (2000)

Additions and Corrections: Ionization Energy of Methylene
Revisited: Improved Values for the Enthalpy of Formation of
CH2 and the Bond Dissociation Energy of CH3 Via
Simultaneous Solution of the Local Thermochemical Network,
J. Phys. Chem. A (1999) 103 (43), 8625,
B. Ruscic, M. Litorja,
and R. L. Asher, J. Phys. Chem. A 104 (37), 8600 (2000)

Photoionization Mass Spectroscopic Studies of Free Radicals in
Gas Phase: Why and How,
B. Ruscic, Invited Review Article,
Res. Adv. Phys. Chem. 1, 39-75 (2000)

Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical
and a Lower Gas-Phase Bond Dissociation Energy of Water,
B. Ruscic, D. Feller, D. A. Dixon, K. A. Peterson, L. B. Harding,
R. L. Asher, and A. F. Wagner, J. Phys. Chem. A 105 (1), 1-4
(2001)

Theoretical Investigation of the Transition States Leading to HCI
Elimination in 2-Chloropropene, B. Parsons, L. Butler, and
B. Ruscic, Mol. Phys. 100 (6), 865-874 (2002)

On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase
Bond Dissociation Energies of Water and Hydroxyl, B. Ruscic,
A. F. Wagner, L. B. Harding, R. L. Asher, D. Feller, D. A. Dixon,
K. A. Peterson, Y. Song, X. Qian, C.-Yiu Ng, J. Liu, W. Chen,
and D. W. Schwenke, J. Phys. Chem. A 106 (11), 2727-2747 (2002)

Toward Hartree-Fock and Density Functional Complete Basis-
Set-Predicted NMR Parameters, T. Kupka, B. Ruscic, and R. E. Botto
J. Phys. Chem. A 106 (43), 10396-10407 (2002)

Hartree-Fock and Density Functional Complete Basis-Set (CBS)
Predicted Nuclear Shielding Anisotropy and Shielding Tensor
Components, T. Kupka, B. Ruscic, and R. E. Botto, Solid State
Nucl. Magn. Reson. 23 (3), 145-167 (2003)

The Enthalpy of Formation of HO2, B. Ruscic, J. Phys. Chem
A (in preparation)

Observation of Purely Rotational Autoionization in the Ionization
Threshold Region of Methyl Radical, B. Ruscic, H. Shang,
C. Xu, M. Berry, M. Litorja, and R. L. Asher, (in preparation)

Accurate Bond Dissociation Energies Via Photoionization
Mass Spectrometric Measurements of Transient Species,
B. Ruscic, Int. Rev. Phys. Chem. (in preparation)

 

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