We analyzed a total of 37 427 receiver-function data recorded by national and regional broadband seismic networks of the China Earthquake Administration to study the mantle transition zone beneath eastern and central ...We analyzed a total of 37 427 receiver-function data recorded by national and regional broadband seismic networks of the China Earthquake Administration to study the mantle transition zone beneath eastern and central China. Significant topography on both the 410-km and 660-km discontinuities was clearly imaged in the 3D volume of CCP （common-conversion-point） stacked images that cover an area of 102.5°F-122.5°E and 22.0°N-42.0°N. 3D crustal and mantle velocity models were used in computing the Ps time moveouts to better image the absolute depths of the two discontinuities. We found that the 660-km discontinuity is depressed up to 25 km along the east coast of China, indicating the presence of the subducted Pacific slab in the region. More interestingly, a double 660-km was observed beneath the Huanghai Sea, which was not seen from the 410-km discontinuity. We found a strong and localized anomaly beneath the Quaternary Datong volcano located at the northeastern edge of the Ordos Plateau in North China. The 410-km is depressed by as much as 15 km beneath the volcano. If the amount of the depression is caused by unmodeled low velocity anomaly in the upper mantle, it requires either a strong （4%-8%） localized low velocity anomaly near the lithosphere-asthenosphere boundary or -1.5% low velocity column across the entire upper mantle above the 410-km. The latter could suggest a deep origin of the Datong volcano, although it was usually attributed to edge-driven convection by most of the literatures.展开更多
The introduction of specific sites in organic frames for accommodation of various modes of bonding has been focused on reaction types which are described by using different theoretical models with or without a definit...The introduction of specific sites in organic frames for accommodation of various modes of bonding has been focused on reaction types which are described by using different theoretical models with or without a definite experimental proof. In this study three-center four-, three-, and two-electron systems based on carbon-, boron-, hydrogen-, and halogen exchange are under consideration. Based on the number of electrons in the transition state or transition complex it is shown that all transfer or exchange reactions share the same ratio numbers expressed as the quotient of the transitional bond distance under investigation and its normal bond length. With X-ray data of model systems it was even possible to give the ratio numbers for a three-center four-electron configuration experimental support with additional ab initio data. Furthermore a novel model type of substitution in organic chemistry is introduced through electrophilic insertion, informative for enzyme-substrate interactions based on the lock-and-key model. Reactions based on a three-center two-electron configuration mostly follow a nonlinear transition. In this alignment there will be a pursuit of cyclization for stabilization via homoaromaticity as homocyclopropenyl cation. The molecular dynamics of such a process is discussed based on recent X-ray crystallographic data of the symmetrically bridged, nonclassical geometry of the 2-norbornyl cation. In the present paper the focus is aimed at the transition intermediate of the (classical) 2-norbornyl cation involved in the isomerization into the nonclassical geometry. This model description is compared with a simple molecular rearrangement of the 1-propyl cation into the corner-protonated cyclopropane using the ab initio data. The exclusivity of the former isomerization compared with the latter one could be unambiguously demonstrated by the invention that theintramolecularelectron shift can be expressed in a linear relationship between the concerned electron-donating and accepting bond lengths. Finally, the fluor transitions as divalent atoms in a three-center two-electron configuration are described. The role of fluor in comparison with the other halogens is striking. The attention was focused on an excellent correspondence between the recent chemical and theoretical evidence for a symmetrical fluoronium ionin solution. Simple dialkylfluoroniumions in contrast to the other halonium ions are not present in solution. Although the geometry of the fluoronium ion theoretically can be described as a real minimum, the C-F-C angle of 120° is apparently the borderline transition for dissociation in C+ and F-C.展开更多
Vibrational transition spectra of H2＋ in an ultra-strong magnetic field are determined. The validity of Born- Oppenheimer approximation is analyzed based on one-center method and B-spline basis sets. It is shown that...Vibrational transition spectra of H2＋ in an ultra-strong magnetic field are determined. The validity of Born- Oppenheimer approximation is analyzed based on one-center method and B-spline basis sets. It is shown that Born- Oppenheimer approximation is reliable for the investigation on the ground state and low excited states of H2＋ subjected to the strong magnetic field. Furthermore, it is found that the vibrational transition spectra from lσg, lπu, and 1δg states lie in infrared, visible, and ultraviolet ranges with increasing magnetic field strength.展开更多
文摘We analyzed a total of 37 427 receiver-function data recorded by national and regional broadband seismic networks of the China Earthquake Administration to study the mantle transition zone beneath eastern and central China. Significant topography on both the 410-km and 660-km discontinuities was clearly imaged in the 3D volume of CCP （common-conversion-point） stacked images that cover an area of 102.5°F-122.5°E and 22.0°N-42.0°N. 3D crustal and mantle velocity models were used in computing the Ps time moveouts to better image the absolute depths of the two discontinuities. We found that the 660-km discontinuity is depressed up to 25 km along the east coast of China, indicating the presence of the subducted Pacific slab in the region. More interestingly, a double 660-km was observed beneath the Huanghai Sea, which was not seen from the 410-km discontinuity. We found a strong and localized anomaly beneath the Quaternary Datong volcano located at the northeastern edge of the Ordos Plateau in North China. The 410-km is depressed by as much as 15 km beneath the volcano. If the amount of the depression is caused by unmodeled low velocity anomaly in the upper mantle, it requires either a strong （4%-8%） localized low velocity anomaly near the lithosphere-asthenosphere boundary or -1.5% low velocity column across the entire upper mantle above the 410-km. The latter could suggest a deep origin of the Datong volcano, although it was usually attributed to edge-driven convection by most of the literatures.
文摘The introduction of specific sites in organic frames for accommodation of various modes of bonding has been focused on reaction types which are described by using different theoretical models with or without a definite experimental proof. In this study three-center four-, three-, and two-electron systems based on carbon-, boron-, hydrogen-, and halogen exchange are under consideration. Based on the number of electrons in the transition state or transition complex it is shown that all transfer or exchange reactions share the same ratio numbers expressed as the quotient of the transitional bond distance under investigation and its normal bond length. With X-ray data of model systems it was even possible to give the ratio numbers for a three-center four-electron configuration experimental support with additional ab initio data. Furthermore a novel model type of substitution in organic chemistry is introduced through electrophilic insertion, informative for enzyme-substrate interactions based on the lock-and-key model. Reactions based on a three-center two-electron configuration mostly follow a nonlinear transition. In this alignment there will be a pursuit of cyclization for stabilization via homoaromaticity as homocyclopropenyl cation. The molecular dynamics of such a process is discussed based on recent X-ray crystallographic data of the symmetrically bridged, nonclassical geometry of the 2-norbornyl cation. In the present paper the focus is aimed at the transition intermediate of the (classical) 2-norbornyl cation involved in the isomerization into the nonclassical geometry. This model description is compared with a simple molecular rearrangement of the 1-propyl cation into the corner-protonated cyclopropane using the ab initio data. The exclusivity of the former isomerization compared with the latter one could be unambiguously demonstrated by the invention that theintramolecularelectron shift can be expressed in a linear relationship between the concerned electron-donating and accepting bond lengths. Finally, the fluor transitions as divalent atoms in a three-center two-electron configuration are described. The role of fluor in comparison with the other halogens is striking. The attention was focused on an excellent correspondence between the recent chemical and theoretical evidence for a symmetrical fluoronium ionin solution. Simple dialkylfluoroniumions in contrast to the other halonium ions are not present in solution. Although the geometry of the fluoronium ion theoretically can be described as a real minimum, the C-F-C angle of 120° is apparently the borderline transition for dissociation in C+ and F-C.
基金Supported by the National Basic Research Program of China (Grant No. 2010CB832803)
文摘Vibrational transition spectra of H2＋ in an ultra-strong magnetic field are determined. The validity of Born- Oppenheimer approximation is analyzed based on one-center method and B-spline basis sets. It is shown that Born- Oppenheimer approximation is reliable for the investigation on the ground state and low excited states of H2＋ subjected to the strong magnetic field. Furthermore, it is found that the vibrational transition spectra from lσg, lπu, and 1δg states lie in infrared, visible, and ultraviolet ranges with increasing magnetic field strength.
