Adam J. Gianola
National Institute of Standards and Technology
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Featured researches published by Adam J. Gianola.
Angewandte Chemie | 2009
Takatoshi Ichino; Stephanie M. Villano; Adam J. Gianola; Daniel J. Goebbert; Luis Velarde; Andrei Sanov; Stephen J. Blanksby; Xin Zhou; David A. Hrovat; Weston Thatcher Borden; W. Carl Lineberger
Small S-T splitting : The photoelectron spectrum of the oxyallyl radical anion (see picture) reveals that the electronic ground state of oxyallyl is singlet, and the lowest triplet state is separated from the singlet state by only (55 ± 2) meV in adiabatic energy.
Journal of Chemical Physics | 2006
Takatoshi Ichino; Adam J. Gianola; W. Carl Lineberger; John F. Stanton
The 351.1 nm photoelectron spectrum of the 1-pyrazolide-d(3) anion has been measured. The photoelectron angular distributions indicate the presence of nearly degenerate electronic states of the 1-pyrazolyl-d(3) radical. Equation-of-motion ionization potential coupled-cluster singles and doubles (EOMIP-CCSD) calculations have been performed to study the low-lying electronic states. The calculations strongly suggest that three electronic states, energetically close to each other, are accessed in the photodetachment process. Strong interactions of the pseudo-Jahn-Teller type in each pair of the three states are evident in the calculations for the radical at the anion geometry. Model diabatic potentials of the three states have been constructed around the anion geometry in terms of the anion reduced normal coordinates up to the second order. An analytic method to parametrize the quadratic vibronic coupling (QVC) model potentials has been introduced. Parameters of the QVC model potentials have been determined from the EOMIP-CCSD and CCSD(T) calculations. Simulations of the 1-pyrazolide-d(3) spectrum have been performed with the model Hamiltonian, treating all vibronic interactions amongst the three states simultaneously. The simulation reproduces the fine structure of the observed spectrum very well, revealing complicated nonadiabatic effects in the low-lying states of the radical. The ground state of the 1-pyrazolyl-d(3) radical is (2)A(2) and the electron affinity is 2.935+/-0.006 eV. The first excited state is (2)B(1) with a term energy of 32+/-1 meV. While the high-symmetry (C(2v)) stationary points of the X (2)A(2) and A (2)B(1) states are minima, that of the state is a saddle point as a result of the pseudo-Jahn-Teller interactions with the other two states. The topology of the adiabatic potential energy surfaces is discussed.
Journal of Chemical Physics | 2002
Django H. Andrews; Adam J. Gianola; W. Carl Lineberger
The 364 nm negative ion photoelectron spectrum of AgO− is reported. Transitions to the A 2Σ+ state and the X 2Π1/2 and X 2Π3/2 spin–orbit states of AgO are observed. The electronic ground state of AgO− is found to have a vibrational frequency of 497 (20) cm−1 and an equilibrium bond length of 1.935 (15) A. The electron affinity of AgO is found to be 1.654 (2) eV.
Journal of Physical Chemistry A | 2011
Takatoshi Ichino; S. M. Villano; Adam J. Gianola; Daniel J. Goebbert; Luis Velarde; Andrei Sanov; Stephen J. Blanksby; Xin Zhou; David A. Hrovat; Weston Thatcher Borden; W. C. Lineberger
Journal of Chemical Physics | 2008
Takatoshi Ichino; Scott W. Wren; Kristen M. Vogelhuber; Adam J. Gianola; W. Carl Lineberger; John F. Stanton
Journal of Physical Chemistry A | 2005
Adam J. Gianola; Takatoshi Ichino; Rebecca L. Hoenigman; Shuji Kato; Veronica M. Bierbaum; W. Carl Lineberger
Journal of Physical Chemistry A | 2004
Takatoshi Ichino; Adam J. Gianola; Django H. Andrews; W. Carl Lineberger
Journal of Physical Chemistry A | 2004
Adam J. Gianola; Takatoshi Ichino; Rebecca L. Hoenigman; Shuji Kato; Veronica M. Bierbaum; W. Carl Lineberger
Journal of Physical Chemistry A | 2006
Adam J. Gianola; Takatoshi Ichino; Shuji Kato; Veronica M. Bierbaum; W. C. Lineberger
Journal of Physical Chemistry A | 2007
Stephanie M. Villano; Adam J. Gianola; Nicole Eyet; Takatoshi Ichino; Shuji Kato; Veronica M. Bierbaum; W. C. Lineberger