Download or read book Microwave Spectroscopy and Computational Studies of Multi top Internal Rotation Molecules Highly Unsaturated Transient Molecules and Free Radicals written by Lu Kang and published by . This book was released on 2003 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2004 with total page 754 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Internal Rotation in Heavy top Molecules written by Edward Aldama Valenzuela and published by . This book was released on 1975 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Rotational Spectra and Molecular Structure written by James E. Wollrab and published by Academic Press. This book was released on 2013-10-22 with total page 485 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Chemistry, A Series of Monographs: Rotational Spectra and Molecular Structure covers the energy levels and rotational transitions. This book is divided into nine chapters that evaluate the rigid asymmetric top molecules and the nuclear spin statistics for asymmetric tops. Some of the topics covered in the book are the asymmetric rotor functions; rotational transition intensities; classes of molecules; nuclear spin statistics for linear molecules and symmetric tops; and classical appearance of centrifugal and coriolis forces. Other chapters deal with the energy levels and effects of centrifugal distortion, as well as the internuclear distance and moments of inertia. The discussion then shifts to the coriolis coupling effects on rotational constants and the perturbation treatment of vibration-rotational Hamiltonian. The last chapter is devoted to the examination of origin of the quadrupole interaction. The book can provide useful information to chemists, physicists, electrical engineers, students, and researchers.
Download or read book Molecular Constants from Microwave Molecular Beam and Electron Spin Resonance Spectroscopy Molekelkonstanten aus Messungen der Mikrowellen Molekularstrahl und Elektronenspinresonanz Spektroskopie written by J. Demaison and published by Springer. This book was released on 1974-02-08 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Internal Rotation in Molecular Crystals written by Xianlong Wang and published by Nova Science Publishers. This book was released on 2015 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study on molecular rotors and motors is a hot research topic in the current era of nanotechnology. Internal rotation is a ubiquitous motion in most molecules and is considered a bridge to interconnect different energy forms. This monograph is focused on the computational studies on the molecular dynamics of the internal rotation of methyl, tert-butyl and trifluoromethyl groups on aromatic compounds in both isolated molecules and crystalline solids. The methodology and results presented in this book provide the readers a fundamental understanding of factors that affect the molecular rotors. Additionally, not only isolated molecules were studied, but molecular crystals were also simulated using cluster models consisting of 300~500 atoms which were constructed from the high quality X-ray crystallographic structures. Thus, through the comparative studies, the role of intra- and intermolecular interactions for their contributions to the rotational barriers was investigated. The computational results were also compared with the values from experimental studies, such as nuclear magnetic resonance relaxation measurements at variable temperatures.
Download or read book Molecular Rotation Spectra written by H. W. Kroto and published by John Wiley & Sons. This book was released on 1975 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Infrared Spectra of NF2 written by Marlin D. Harmony and published by . This book was released on 1962 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular constants from microwave molecular beam and electron spin resonance spectroscopy written by Karl-Heinz Hellwege and published by . This book was released on 1974 with total page 701 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Structures and Internal Dynamics of Cyclic Molecules Studied by Microwave Spectroscopy and Quantum Chemistry written by Vinh Van and published by . This book was released on 2017* with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book High Resolution Infrared Spectroscopy of Transient Molecules Development of Broadband Optical Parametric Oscillators written by Jürgen Krieg and published by Cuvillier Verlag. This book was released on 2012-02-13 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: The infrared spectral region between wavelengths of 2 and 6 µm is of great importance in molecular physics. Molecules with an X-H bond (X being carbon, nitrogen or oxygen) exhibit strong vibrational transitions there, but also linear carbon clusters Cn (n=2,3,...). Many combination bands and overtones of low-energy vibrational modes also occur in this spectral range. Analyses of these spectral features allow - if highly resolved - for example the prediction of pure rotational transitions in the sub-mm wavelength regime, or help understanding the internal dynamics of the molecule. To provide radiation sources with extremely large frequency coverage, two optical parametric oscillator (OPO) systems in the wavelength regions from 2.5 to 4.1 µm and from 4.7 to 5.4 µm have been set up and characterized in this thesis. The OPO system around 5 µm wavelength is the only one in this spectral region used in high-resolution spectroscopy up to now. Both of the OPO systems have been shown to be ideal tools for spectroscopic studies delivering highly accurate transition frequencies of transient molecules, using the following example cases: The rovibrational spectrum of the fundamental cation CH2D+ around 3.2 µm wavelength has been measured with unprecedented spectral resolution and frequency accuracy. The combination of the OPO as radiation source with a cold ion trap to produce and store the ions has been proven to have a high predictive power for pure rotational transition frequencies of CH2D+. Located at around 100 to 200 GHz, these are of great importance in astrophysics. The V3 fundamental vibration of Si2C3 around 5.1 µm wavelength has been measured using the OPO and a newly built jet spectrometer for the production of transient molecules. Molecular parameters have been determined with high precision. An associated hot band originating from the V7 vibrational bending mode has been resolved and analyzed for the first time. The pure carbon clusters C3 and C7 have also been examined. For the first time, a combination band of C3 and an associated hot band were detected around 3.0 µm wavelength in the gas phase. Their analyses yield valuable information about the potential energy surface of C3. Analysis of the V5 mode of C7 delivered further proof of its rigidity, which was put into question by earlier works. Last but not least, a previously unknown associated hot band of C7 has been detected and analyzed.
Download or read book Spectroscopy Studies of Free Radicals and Ions Containing Large Amplitude Motions written by Meng Huang (Ph. D. in chemical physics) and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular vibrations can be understood by means of spectroscopy, which involves measuring the light a molecule can absorb or emit as the vibrational energy changes. Large amplitude motions are molecular vibrations which have large atomic displacements. The harmonic oscillator, which is the basic model for small-amplitude molecular vibrations can fail in describing these large-amplitude motions. My dissertation research is mainly focused on developing theoretical models to understand the spectra of molecules that contain large-amplitude motions. One of the interesting questions related to large-amplitude motions is how the large-amplitude displacements affect the frequencies of small-amplitude vibrations in the molecule. A reduce dimension model is built for systems that contain a methyl (CH3) rotor in which the large-amplitude methyl torsion is coupled to the small-amplitude CH stretches. This model was applied to two systems, methyl peroxy radical (CH3OO) and methanol radical cation (CH3OH+). In methyl peroxy, the coupling between CH stretch and methyl torsion is small, which leads to the broadening of features related to the rotational structure when a CH stretch is excited. In methanol cation, this coupling is large and leads to excitations of the torsion and the CH stretches. Good agreement between the experiment and simulations in both systems demonstrate that my model is appropriate to describe the coupling between CH stretch, molecular rotation, and methyl torsion in these systems. Another focus of research in this dissertation is the identification of the carrier of the electronic spectrum observed following the photolysis of CH2I2 in the presence of O2. A one-dimensional model for the large-amplitude CH2X torsion is used to calculate the vibrational bands in the electronic spectrum. The carrier of the spectrum is determined to be based on CH2IO2 radical based on the good agreement between the measured spectrum and the simulation with parameters derived for CH2IO2 radical. Other than the methyl rotor systems, a similar model is also applied on water-halide cluster I-(H2O), where the in-plane bend is a large-amplitude motion. With considering the couplings between the in-plane bend and the OH stretches as well as the couplings between the in-plane bend and molecular rotations, the rotational contour simulations reproduce the spectral feature in the experimental spectrum. Through these studies, we are able to develop models to allow us to interpret spectra based on fundamental ideas of quantum mechanics.
Download or read book Molecular Constants for Microwave Molecular Beam and Electron Spin Resonance Spectroscopy written by K.-H. Hellwege and published by . This book was released on 1974 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Constants Mostly from Infrared Spectroscopy written by and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Radicals Diatomic Molecules and Substance Index written by J. M. Brown and published by Springer. This book was released on 1983-08-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic Studies of Molecular Dynamics and Structure at Low Temperature written by Hossein Mohammad Rojhantalab and published by . This book was released on 1976 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Constants written by Guy Guelachvili and published by . This book was released on 1995 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
