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Reduced-Mass Fock-Tani Representations For A+ + (B+C-) --> (A+C-) + B+ And First-Order Results For {Abc} = {Ppe, Epe, Μpμ, Μdμ, And Μtμ}, Jack C. Straton

Physics Faculty Publications and Presentations

The Fock-Tani transformation in the Jacobi three ⟶ two-body reduced-mass system is carried out and the first-order T matrix is found to be identical to that for the full three-body transformation. The Fock-Tani transformation in the reduced-mass system in which particle b is fixed at the origin is found to give a first-order T matrix with an error of m_c /m_b in the initial momentum wave function. First-order differential and total cross sections are calculated for a⁺ + (b⁺c^-)⟶(a⁺c^-) + b⁺ where |abc|= { …

Fourier Transform Of The Product Of N One-Center Hydrogenic Orbitals, Jack C. Straton

Physics Faculty Publications and Presentations

Integrating the radial part of the Fourier transform of the product of N hydrogenic orbitals results in an associated Legendre function that can be reduced to a finite series of elementary functions. This transform is found to depend on a polynomial in the wave vector k divided by a binomial in k² raised to a power that is the sum of principle quantum numbers. This form facilitates the analytical reduction of integrals arising from orthogonalization corrections in atomic processes. Transforms for the product of orbital pairs (1s,1s) through (1s,3d) are given …

Molecular Dynamics In Hydrogen‐Bonded Interactions: A Preliminary Experimentally Determined Harmonic Stretching Force Field For Hcn‐‐‐Hf, B. A. Wofford, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Observation of the 2ν₁ overtone band in the hydrogen‐bonded complex HCN‐‐‐HF permits evaluation of the anharmonicity constant X _{1 1}=−116.9(1) cm^{− 1} and determination of the anharmonicity corrected fundamental frequency ω₁. This information, and available data from previous rovibrational analyses in the common and perdeuterated isotopic species of HCN‐‐‐HF, offer an opportunity for calculation of an approximate stretching harmonic force field. With the assumptions f _{1 2}=f _{2 4}=0.0, the remaining force constants (in mdyn/Å) are evaluated as: f _{1 1}=8.600(20), f _{2 2}=6.228(9), f _{3 3}=19.115(40), f _{4 …}

Determination Of Dissociation Energies And Thermal Functions Of Hydrogen‐Bond Formation Using High Resolution Ftir Spectroscopy, B. A. Wofford, M. E. Eliades, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

A technique which employs high resolution Fourier transform infrared spectroscopy is demonstrated for evaluation of hydrogen bonddissociation energiesD ₀ and D _e . Results for HCN‐‐HF give a D ₀=20.77(22) and D _e =28.77(45) kJ/mol which are compared with previously determined values obtained from microwave absolute intensity measurements and a b i n i t i o molecular orbital calculations. Rovibrational band information available for HCN‐‐HF also permits evaluation of thermal functions of dimer formation in kJ/mol: ΔU ^○ _298.2 =20.1(2), ΔH ^○ _298.2 =22.6(2), ΔG ^○ _298.2 =59.4(2), ΔS ^○ _298.2 =−0.1235.

Electron Paramagnetic Resonance Of Gd3+ Ions In The Superconductor Gdba2Cu3OX, F. Mehran, S. E. Barnes, C. C. Tsuei, T. R. Mcguire

Physics Articles and Papers

EPR from Gd³⁺ ions in the high-T_c≃90 K superconductor GdBa₂Cu₃O_x is reported. The temperature dependence of the linewidth and intensity of the Gd³⁺ ions in the vicinity of T_c are related to the corresponding characteristics of the Cu²⁺ ions.

Observation Of Al2O3: Cr3+ Magnetic Resonance Via Solitons In Long Josephson Junctions, F. Mehran, S. E. Barnes, C. C. Chi, R. L. Sandstrom, C. P. Umbach

Physics Articles and Papers

We have detected the zero-field electron-spin resonance signal of Al₂O₃ with ∼1000 ppm Cr³⁺ using an edge Josephson junction. The sample comprises the substrate upon which the junction was fabricated and the coupling to the electron-spin resonance is via the solitons which exist in these "long" devices.

Comment On "Orientation, Alignment, And Hyperfine Effects On Dissociation Of Diatomic Molecules To Open Shell Atoms", Mark D. Havey, Linda L. Vahala

Electrical & Computer Engineering Faculty Publications

A recent paper in this journal [Y. B. Band e t a l., J. Chem. Phys. 8 4, 3762 (1986)] reported parameters describing orientation and alignment produced, in an axial recoil limit, by one photondissociation of diatomic molecules. Reported also were values, applicable to the resonance transitions of the alkali atoms, for orientation and alignment depolarization coefficients. Most of the numerical values reported for the coefficients were incorrect, in some cases by as much as a factor of 2. We report a tabulation of correct depolarization coefficients applicable to the resonance transitions of common alkali isotopes. Further, the coefficients …

Temporary Anion States Of Polyatomic Hydrocarbons, Kenneth D. Jordan, Paul Burrow

Paul Burrow Publications

Contents

I. Introduction

II. Electron Transmission Spectroscopy

A. Background

B. Interpretation of Transmission Data

III. Alkenes, Dienes, and Polyenes

A. Ethylene and Alkyl-Substituted Ethylenes

B. Butadiene, Hexatriene, and Octatetraene

C. Other Conjugated Dienes

D. Cyclooctatetraene

E. Nonconjugated Dienes

IV. Alkynes

A. Acetylene and Alkyl-Substituted Acetylenes

B. Cyclic Acetylenes

C. Butadiyne and 2,4-Hexadiyne

V. Aromatic Systems

A. Benzene and Alkyl-Substituted Benzenes

B. Naphthalene, Anthracene, and Tetracene

C. Styrene and cis- and trans-Stilbene

D. Biphenyls

E. Triptycene, Dibenzonorbornadiene, and Related Compounds

VI. Halogen-Containing Compounds

A. Saturated Compounds

B. Unsaturated Compounds

VII. Conclusions

VIII. Acknowledgment

IX. References

X. Bibliography of Studies …