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Showing 1 to 12 of 12 for “"Molecular rotation"”.
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The Study of Molecular Rotation in Liquids by Nmr at High Pressure
Made available in DSpace on 2014-12-10T23:01:25Z (GMT). No. of bitstreams: 1 7309870.pdf: 2454994 bytes, checksum: 6b3cc4a03e0383c2c5a38f87410ea3de (MD5) Previous issue date: 1972
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Exploring the effect of a potential barrier on the molecular rotation-vibration structure
… explore the effect of a potential barrier on the rotation-vibration structure of the sulfur dioxide (SO₂) C̃̃ state and the acetylene (HCCH) Ã state. The minimum-energy geometry of both electronically excited states is qualitatively different from their respective electronic ground state geometry. …
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Photodissociation Dynamics of Small Molecules
… was investigated. Supersonic expansion in a molecular beam was utilized to obtain a narrow distribution of initial parent states. Laser induced fluorescence under collisionless conditions was used in determining the product internal state distributions. It was found that for both BrCN and …
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Dynamics of Adsorption and Desorption on Chiral Surfaces
… reaction as a starting point for ab-initio molecular dynamics simulations of the subsequent desorption. Special focus in the analysis of these reactive trajectories lies on the time evolution of rotational momenta. To that end, molecules with different degrees of rotational symmetry were …
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Rotation-electronic interaction in the 3p-complex Rydberg state of water
An energy theory is formulated for the rotational energy levels in a p-complex Rydberg state of an asymmetric top molecule of symmetry C2v. The effective Hamiltonian used consists of the usual rigid rotor Hamiltonian augmented with terms representing electronic spin and orbital angular momentum …
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Synthesis and characterization of molecules to study the conformational barriers of fluorocarbon chains
… Although there has been previous studies on the rotational barrier of molecules having fluorocarbon centers, a detailed systematic study is necessary to quantify flurocarbon stiffness. The molecules, Pyrene-(CF2)n-Pyrene, Pyrene-(CF2)n-F, Pyrene-(CH2)n-Pyrene and Pyrene-(CH2)n-H were therefore …
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Characterising Electrolyte Interactions with Carbon Anodes for Sodium Ion Batteries
… of diglyme can be described by simulating a molecular rotation of diglyme with a lognormal distribution of rotation rates, which is indicative of the range of different sites that Na-diglyme complexes can occupy in hard carbon. By probing hard carbon at different states of charge, it was also …
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Studies on the rates of mutarotation of the benzyl-N-carbobenzoxy-D-glucosaminides
The independent interconversion of alpha-N-carbobenzoxy-D-glucosaminide to the beta- form, and vice versa, suggests that the proper treatment of the rate data must involve a system of opposing reactions. It is evident from the data cited in the preceding chapter that such opposing rates must …
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Dynamics of water and aqueous protons studied using ultrafast multi-dimensional infrared spectroscopy
… where a water molecule undergoes large angle molecular reorientation as it exchanges hydrogen-bonding partners. To test this picture of hydrogen bond dynamics, we performed ultrafast 2D IR spectral anisotropy on the OH stretching vibration of HOD in D₂0 to directly track the reorientation of …
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Continuum breakdown assessment and state-based transport modeling for non-equilibrium hypersonic flows
… that lead to breakdown - translational, rotational and vibrational heat fluxes, mass diffusion fluxes and stress tensor components - are identified within the forebody region of a Mach 24 airflow past a sphere. Regions of non-continuum were observed in the shock, and close to the sphere …
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Effects of non-planar distortions in porphyrin compounds on their properties and functionality
… solar energy transduction, electron transport, molecular transport and storage, and catalysis. Due to their unique photophysical and chemical properties, they are excellent candidates for application as photosensitizers, catalysts, photocatalysts, molecular electronics and opto-electronics. …