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1.
The structure and rotational barrier for the mesityl-silicon bond of 2,2-dimesityl-1,1,1,3,3,3-hexamethyltrisilane have been investigated by 1H- and 13C-variable temperature nuclear magnetic resonance (NMR) as well as by density functional theory structural calculations. The calculations show that the lowest energy structure has C2 symmetry with nonequivalent ortho methyl groups, consistent with the crystal structure and solution NMR. The nonequivalent ortho methyl groups exchange through a Cs transition state with a calculated relative free energy of 11.0 kcal mol−1. The barrier for this rotation found by dynamic NMR is 13.4 ± 0.2 kcal mol−1 at 298 K. 相似文献
2.
用密耦方法计算了非对称同位素替代分子与氦原子碰撞(He-HD,HT,DT)转动激发,当入射能量E=0.3 eV时,得到了上述碰撞体系的微分散射截面或角分布.基于上述理论计算,讨论了原子与双原子分子碰撞的同位素效应. 相似文献
3.
气垫导轨在刚体转动惯量测定实验中的应用 总被引:1,自引:0,他引:1
本文介绍了一种测量刚体转动惯量的新方法。即把气垫导轨和刚体转动仪结合起来来测量刚体的转动惯量,使传统的气垫导轨实验和刚体转动惯量测定实验得以更新,提高了实验测量的精度,拓展了实验内容。 相似文献
4.
J.R. Cooper 《Journal of Molecular Spectroscopy》2006,239(1):51-58
The ν9 fundamental band of ethane occurs in the 12 μm region. It is the strongest band of ethane in a terrestrial window and is commonly used for the identification of ethane in the Jovian planets. The ν9 + ν4 − ν4 band occurs in the same region; neither can be analysed as an isolated band, since both are embedded in the torsional bath of the ground vibrational state. We report here two global fit models including data from both of these bands as well as the ν3 fundamental and the ν4, 2ν4 − ν4, and 3ν4 torsional transitions. The first is restricted to −5 ? KΔK ? 15 in the hot band and gives an excellent fit to the included data. Three resonant interactions are identified in this fit—a Coriolis interaction with two resonant cases between the ν9 torsional stack and that of the ground vibrational state (gs) and a resonant Fermi interaction between the ν3 fundamental and the gs. Hot band lines with KΔK < −5 are influenced by a fourth perturbation, with a crossing at −11 < KΔK < −10, which has been attributed to an interaction with the ν12 fundamental. A second fit, demonstrating a promising treatment of this interaction, is also presented. 相似文献
5.
R. Bairava Ganesh Hitoshi Matsuo Takahiro Kawamura Yoshihiro Kangawa Koji Arafune Yoshio Ohshita Masafumi Yamaguchi Koichi Kakimoto 《Journal of Crystal Growth》2008,310(11):2697-2701
Multicrystalline silicon was grown by unidirectional solidification method using the accelerated crucible rotation technique. The application of the accelerated crucible rotation technique in unidirectional solidification method induced growth striations across the axial direction of the grown crystal. This striation pattern was observed from carbon concentration distribution, obtained by using Fourier transform infrared spectroscopy. The generated striation pattern was found to be weak and discontinuous. Some striations were absent, probably due to back melting, caused during each crucible rotation. From the growth striations and applied time period in crucible rotation, the growth rate was estimated by using Fourier transformation analysis. 相似文献
6.
High-resolution Fourier transform spectra of CH3OH have been investigated in the infrared region from 930 to 1450 cm−1 in order to map the torsion-rotation energy manifolds associated with the ν7 in-plane CH3 rock, the ν11 out-of-plane CH3 rock, and the ν6 OH bend. Upper-state term values have been determined from the assigned spectral subbands, and have been fitted to power-series expansions to obtain substate origins and effective B-values for the three modes. The substate origins have been grouped into related families according to systematic trends observed in the torsion-vibration energy map, but there are substantial differences from the traditional torsional patterns. There appears to be significant torsion-mediated spectral mixing, and a variety of “forbidden” torsional combination subbands with |Δυt|>1 have been observed, where υt denotes the torsional quantum number (equivalent to υ12). For example, coupling of the (υ6,υt)=(1,0) OH bend to nearby torsionally excited (υ7,υt)=(1,1) CH3-rock and (υ8,υt)=(1,1) CO-stretch states introduces (υ6,υt)=(1,0)←(0,1) subbands into the spectrum and makes the ν7+ν12−ν12 torsional hot band stronger than the ν7 fundamental. The results suggest a picture of strong coupling among the OH-bending, CH3-rocking, and CO-stretching modes that significantly modifies the traditional energy structure and raises interesting and provocative questions about the torsion-vibration identity of a number of the observed states. 相似文献
7.
8.
P. C. Chen 《中国化学会会志》1995,42(5):755-760
Three ab initio calculations (HF/6-3IG, HF/6-3IG*, and HF/6-3IG**) on 2,4,6-trinitrotoluene were made, The results compare well with xray data, except dihedral angles of NO2 relative to the plane of the benzene ring. The deviations are attributed to packing forces and steric effects in the crystal. The most stable structure was a torsional angle 10° of the methyl top with the benzene ring, unlike toluene. The rotational barriers of the methyl top and the 4-nitro group are small. Hydrogen bonding, dipole moments and total atomic charges arc calculated. 相似文献
9.
Two types of optical current transducers (OCTs) have a bulk Faraday sensor inserted into the gap of an iron core and a porcelain
insulator with optical fiber. The sensor consists of Bi12SiO20 (BSO) single crystal, a polarizer, and an analyzer. The OCTs satisfied the target performance requirement for fault location
and metering and demonstrated maintained performance at some power utilities in Japan and the US. We have developed a fault
location system that immediately detects the fault current with the OCTs, there by locating the fault section. The OCT can
easily replace the existing support insulators for the disconnecting switch without any modifications to structure height
or bus-bar. For metering requiring 0.3% class accuracy, use of a BSO with right optical rotatory power combined with BSO with
left optical rotatory power results in a Faraday sensor with improved temperature characteristics. The OCT demonstrated 0.3%
class accuracy for metering described in the current transformer Specifications of IEEE C57–13, 1993. 相似文献
10.
Those who have worked in the Royal Institution of Great Britain have, since its foundation in 1799, made significant contributions
to scientific knowledge, to its practical application, and to its communication to a wide variety of audiences. Such work
cannot be carried out in an architectural vacuum, and in this paper we examine how the buildings of the Royal Institution,
20 and 21 Albemarle Street in central London, have shaped the work undertaken within its walls and how, on a number of occasions,
the buildings have been reconfigured to take account of the evolving needs of scientific research and communication.
This paper is based on the Conservation Plan of the Royal Institution that we wrote during 2003. The Conservation Plan did
not examine the land owned by the Royal Institution to the north (i.e., 22 and 23 Albemarle Street; for this area see Richard Garnier, “Grafton Street, Mayfair,” Georgian Group Journal 13 (2003), 210–272), but it did discuss 18 and 19 Albemarle Street. In this paper we concentrate on the core Royal Institution
buildings at 20 and 21 Albemarle Street. Other studies of the relationship of architecture,space, and science include Crosbie
Smith and Jon Agar, ed., Making Space for Science: Territorial Themes in the Shaping of Knowledge (Basingstoke: Macmillan, 1997); Peter Galison and Emily Thompson, ed., The Architecture of Science (Cambridge, Mass.: MIT Press, 1999); and Sophie Forgan,“The architecture of science and the idea of a university,” Studies in History and Philosophy of Science 20 (1989), 405–434.
Frank A.J.L. James is Professor of the History of Science at the Royal Institution; he has written widely on the history of
nineteenth-century science in its social and cultural contexts and is editor of the Correspondence of Michael Faraday. He is President of the British Society for the History of Science. Anthony Peers is an Associate of Rodney Melville and
Partners where he works in the field of building conservation as an architectural historian. He is a Council member of the
Ancient Monument Society. 相似文献