Selected Publications of the Principles of Molecular Surface Structure Determined by:

(numerous applications can be found in papers in the main list)

Application of Quantum Chemical (DFT) calculations to facilitate assignments of vibrational spectra of conjugated aromatic molecules of interest for molecular electronics studies

Optical Characterization of Oligo(phenylene-ethynylene) Molecular Electronic Switch Monolayers on Gold, L.J. Richter, C. S.-C. Yang, P.T.

Wilson, C.A. Hacker, R.D. van Zee, J.J. Stapleton, D.L. Allara and J.M. Tour, J.Phys.Chem.B, 2004, 108; 12547-12559

Chemical and Structural Aspects of Self-Assembled Oligo-phenylene-ethynlyene Molecular Electronic Switch Monolayers on Gold, J.J. Stapleton,

P. Harder, T.A. Daniel, M. Reinard, H. Skulason, Y. Yao, D.W. Price, J. M. Tour, and D. L. Allara, Langmuir,  2003, 19, 8245

IR spectra and e- tunneling effects of mixed self-assembled monolayer films with variable height, molecular wire components:
T.D. Dunbar, M.T. Cygan, L.A. Bumm, G.S. McCarty, T.P. Burgin, W.A. Reinerth, L. Jones II, J. J. Jackiw, J.M. Tour, P.S. Weiss and D.L. Allara, Combined Scanning Tunneling Microscopy and Infrared Vibrational Spectroscopic Probes of Surface Assemblies of Fully Conjugated Molecules and Oligomers, J.Phys.Chem, B., 104, 4880-4893(2000)

The first application of the Effective Medium Approximation to treat the IR spectra of heterogeneous films:

Y-T. Tao, G.D. Hietpas and D.L. Allara, HCl Vapor-Induced Structural Rearrangements of n-Alkanoate Self-Assembled Monolayers on Ambient Silver, Copper, and Aluminum Surfaces, J. Am. Chem. Soc., 118, 6724-6735(1996)

Anisotropic, uniaxial treatment of optical wavelength ellipsometric spectra for monolayer structure:
J. Shi, B. Hong, A. N. Parikh, R. W. Collins and D. L. Allara, Optical Characterization of Electronic Transitions Arising from the Au/S Interface of Self-Assembled n-Alkanethiolate Monolayers, Chem. Phys. Lett., 246, 90-94(1995)

Review of principles for quantitative treatment of IR spectra of thin films:
D.L. Allara, Characterization of Thin Organic Films by Infrared Spectroscopy, in Characterization of Organic Thin Films, A. Ulman, ed., Manning, Greenwich CT, pp. 1995, 57-83

Review and applications of methods for treating ellipsometric spectra of organic films:
RW. Collins, Y.T. Kim, J. Shi, and D.L. Allara, Spectroscopic Ellipsometry, in Characterization of Organic Thin Films, ed. A. Ulman, Manning, Greenwich, CT, 1995, pp. 35-55.

Development of the principles for treating the ellipsometric spectra of anisotropic films:
A.N. Parikh and D.L. Allara, Effects of Optical Anisotropy on Spectro-Ellipsometric Data for Thin Films and Surfaces, in Optical Studies on Real Surfaces and Inhomogeneous Thin Films, Vol. 19, Physics of Thin Films Series, M. Francombe, ed., Academic Press, 1994, pp. 279-323.

Fundamental algorithms for interpreting IR and optical spectra of homogeneous thin films:
D.L. Allara and A.N. Parikh, Quantitative Determination of Molecular Structure in Multi-Layered Thin Films of Biaxial and Lower Symmetry from Photon Spectroscopies: 1. Reflection Infrared Vibrational Spectroscopy, J. Chem. Physics. 96, 927 (1992).

Contains the first application of the algorithms for treating the IR spectra of homogeneous thin films and discusses instrumental issues:
P.E. Laibinis, G.M. Whitesides, D.L. Allara, A. Parikh, Y.T. Tao and R.G. Nuzzo, A Comparison of the Structures and Wetting Properties of Self-Assembled Monolayers of n-Alkanethiols on the Coinage Metal Surfaces Cu, Ag and Au, J. Am. Chem. Soc, 113, 7152 (1991).

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