A Broadband Microwave Fourier Transform Spectrometer, Especially Designed for Stark Effect Investigations of Almost Nonpolar Molecules; the Electric Dipole Moment and the Anisotropy in the Static Electric Polarizability Tensor
نویسندگان
چکیده
A bridge type microwave Fourier transform spectrometer, equipped with flat oversized Stark cells and an operational range from 8 GHz to 40 GHz is described. As application we report the experimental determination of the vibronic ground state dipole moment and of the anisotropy in the static polarizability of 1,1-dideuteroallene. Our experimental values are: /za = 0.0053(2) D for the dipole moment, and (ay — a ± ) = 4.26(6) • 10~ 2 4 cm , for the polarizability anisotropy.
منابع مشابه
Microscopic Parameters in the Excited State of Toluene and Some of Its Haloderavatives
The Ultraviolet-visible (UV) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. The electric dipole moments and polarizabilities in the molecular excited electronic states were determined. It was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...
متن کاملPerfluorobutyric acid and its monohydrate: a chirped pulse and cavity based fourier transform microwave spectroscopic study.
Rotational spectra of perfluorobutyric acid (PFBA) and its monohydrate were studied with a broadband chirped pulse and a narrow-band cavity based Fourier transform microwave spectrometer, and high-level ab initio calculations. Extensive conformational searches were performed for both the acid and its monohydrate at the MP2/6-311++G(2d,p) level of theory. Two and three conformers were predicted ...
متن کاملHigher-Order Stark Spectroscopy: Polarizability of Photosynthetic Pigments
Stark spectra for nonoriented molecules with typical broad inhomogeneous line widths are obtained by applying an ac electric field and detecting the change in absorbance at the second harmonic of the field modulation frequency. The analysis of such data in terms of molecular parameters such as changes in dipole moment and polarizability is often difficult. We outline a new method, called higher...
متن کاملComparative study of electroabsorption spectra of polar and nonpolar organic molecules in solution and in a polymer film.
Electroabsorption (EA) spectra of polar and nonpolar molecules of coumarin 153 (C153) and pyrene in solution and in a polymer film of polymethylmethacrylate (PMMA) have been measured in the UV-visible region at room temperature. The shape of the EA spectra of C153 in benzene, 1,4-dioxane, or monochlorobenzene remarkably depends on the angle between the polarization direction of the absorption l...
متن کاملDFT studies of all fluorothiophenes and their radical cations as candidate monomers for conductive polymers
In this paper, electronic, structural, and spectroscopic properties of mono-, di-, tri-, andtetrafluorothiophenes and their radical cations are studied using the density functional theory andB3LYP method with 6-311++G** basis set. Also the effects of the number and position of thesubstituent on the electrochemical properties of the thiophene ring have been studied usingoptimized structures obta...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2012