Electronic structure and first hyperpolarizability of poly(μ 2-l-alanine-μ 3-sodium nitrate (I)) crystals
نویسندگان
چکیده
منابع مشابه
An Optical Overview of Poly[μ2-L-alanine-μ3-nitrato-sodium(I)] Crystals
Single crystals of the semiorganic materials, L-alanine sodium nitrate (LASN) and D-alanine sodium nitrate (DASN), were grown from an aqueous solution by slow-evaporation technique. X-ray diffraction (XRD) studies were carried for the doped grown crystals. The absorption of these grown crystals was analyzed using UV-Vis-NIR studies, and it was found that these crystals possess minimum absorptio...
متن کاملcatena-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-μ-pyrazine-2-carboxylato] nitrate dihydrate]
In the polymeric complex of the title compound, {[AgNi(C(5)H(3)N(2)O(2))(2)(H(2)O)(2)]NO(3)·2H(2)O}(n), the Ag(I) ion displays an angular coordination geometry with two N atoms from pyrazine-2-carboxyl-ate ligands, and the Ni(II) ion is hexa-coordinated by two O atoms from two water mol-ecules, two O and two N atoms from pyrazine-2-carboxyl-ate ligands in a distorted octa-hedral geometry. In th...
متن کاملAfter the electronic field: Structure, bonding, and the first hyperpolarizability of HArF
In this work, we add different strength of external electric field (E(ext)) along molecule axis (Z-axis) to investigate the electric field induced effect on HArF structure. The H-Ar bond is the shortest at E(ext) = -189 × 10(-4) and the Ar-F bond show shortest value at E(ext) = 185 × 10(-4) au. Furthermore, the wiberg bond index analyses show that with the variation of HArF structure, the coval...
متن کاملInteraction of alanine with lithium. I- the alanine–Li -n (H20) n (0–2) complexes
The energy minima of systems made of an alanine molecule, a lithium cation and a various number of watermolecules have been determined with the help of quantum mechanical computations at the B3LYP DensityFunctional Theory level of computation and the standard 6-311++G (d,p) basis set. Several structures, close inenergy are found and the presence of one or two water molecules around the cation m...
متن کاملCrystal Structure and Nanoparticles of Dinuclear Silver(I) Complex [Ag2(PPh3)2(μ-S-4nb-tsc)2(η1-S-4nb-tsc)2](NO3)2
Nanoparticles of a new dinuclear silver(I) complex [Ag2(PPh3)2(μ-S-4nb-tsc)2(η1-S-4nb-tsc)2](NO3)2, where 4nb-tsc = 4-nitrobenzylidenethiosemicarbazone and PPh3 = triphenylphosphine, were prepared in an ultrasonic bath and characterized by FT-IR and SEM. The crystal structure of a suitable single crystal prepared by slow evaporation was determined by single crystal X-ray diffraction. The compou...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Bulletin of Materials Science
سال: 2014
ISSN: 0250-4707,0973-7669
DOI: 10.1007/s12034-014-0098-y