Subproject C 3 . 11 Theoretical Spectroscopy of Molecular Nanostructures
نویسنده
چکیده
منابع مشابه
2-Pyridyl selenolates of antimony and bismuth: Synthesis, characterization, structures and their use as single source molecular precursor for the preparation of metal selenide nanostructures and thin films.
Reactions of SbCl(3) and BiCl(3) with M'Se-C(5)H(3)(R-3)N (M' = Li or Na; R = H or Me) gave homoleptic selenolate complexes of the general formula [M{Se-C(5)H(3)(R-3)N}(3)] (M = Sb or Bi). The complexes were characterized by elemental analysis, UV-vis and NMR ((1)H, (13)C and (77)Se) spectroscopy. The single crystal X-ray analysis of [M{Se-C(5)H(3)(Me-3)N}(3)].nH(2)O (M/n = Sb/1.5 and Bi/0.5) r...
متن کاملQuantum Theoretical studies of Nanostructures onto Hydrogen Adsorption on V-surface
We have studied the adsorption processes of H2 on the V (100) surface of Vanadium using self consistent field theory.Dissociative adsorptions of H2 are significantly favored compared to molecular adsorptions. There is a significant charge transfer from the first layer of the vanadium surface to the Hydrogen atoms. Three possible adsorption sites, top, bridge and center site, were considered in ...
متن کاملAB Initio Calculations of NMR Spectra for H20114C9N4 As A New Nanosemiconductor Molecule
BCN compounds have been researched theoretically and experimentally widely. In this paper, weintroduce the theoretical prediction of ternary B-C-N compounds. NMR spectroscopy was employedextensively to study these ternary nanostructures. We discuss the utilization of chemical shiftinformation as well as ab initio calculations of nuclear shielding for H20134C9N4 structuredetermination. We calcul...
متن کاملThe Crystallographic, Spectroscopic and Theoretical Studies on (E)-2-[((4-fluorophenyl)imino)methyl]-4-nitrophenol and (E)-2-[((3-fluorophenyl)imino)methyl]-4-nitrophenol Compounds
In this study, two new salicylideneaniline derivative compounds which are an isomer of each other have been synthesized and characterized by X-Ray Diffraction (XRD) technique, IR spectroscopy, and theoretical method. While (E)-4-(dihydroxyamino)-2-(((4-fluorophenyl)imino) methyl)phenol (1), crystalizes triclinic P-1 space group, (E)-4-(dihydroxyamino)-2-(((3-fluorophenyl)im...
متن کاملSynthesis and Characterization of ZnO Nanostructures Grown via a Novel Atmospheric Pressure Solution Evaporation Method
In this study, a novel method called “atmospheric pressure solution evaporation (APSE)” wasdeveloped for growing of Zinc Oxide (ZnO) nanostructures on Al2O3 surface. Zinc acetate dihydrate,Polyvinyl Pyrrolidone, and deionized water were used as precursor, capping, and solvent, respectively.The growth of ZnO nanostructures from evaporated solution was performed at three temperatures of300, 400, ...
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 2011