In this research work at The first compounds [C60- 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol-C65-2X]+ (X=F,Cl,Br) were optimized. Then the calculation of natural bond orbitals was performed with the NBO technique. All calculations using Hartree- fock  the 6-31G * basis set using Gaussian 98 software and in gas phase has been done. The results showed that the energy levels of mol...

An amidinato-phosphino ligand ArN[double bond, length as m-dash]C(R)NH(o-Ph2PC6H4) (Ar = 2,4,6-Me3C6H2, R = Ph (1); Ar = 2,6-iPr2C6H3, R = Ph (2); Ar = 2,6-iPr2C6H3, R = tBu (3)) was prepared. The ligand reacted with CrCl3(THF)3 to yield the N,P-chelation complex [ArNHC(R)[double bond, length as m-dash]N(o-Ph2PC6H4)]CrCl3(THF) (4-6), and the ligand's lithium salt ArN[double bond, length as m-da...

The purpose of this study was to evaluate the correlation between the hybrid layer thickness, resin tag length and resin bond strength of a self-etching adhesive system to sound dentin tissue "in vivo". After performing restorative procedures and tooth extractions, ten specimens were sectioned in a mesiodistal direction. One dental section was used for light microscope analysis, in which both t...

Photoactive yellow protein (PYP) has a characteristic hydrogen bond (H bond) between p-coumaric acid chromophore and Glu46, whose OH bond length has been observed to be 1.21 Å by the neutron diffraction technique [Proc. Natl. Acad. Sci. 106, 440-4]. Although it has been expected that such a drastic elongation of the OH bond could be caused by the quantum effect of the hydrogen nucleus, previous...

Detailed phase transition processes of poly(2-isopropyl-2-oxazoline) (PIPOZ)/poly(N-isopropylacrylamide) (PNIPAM) and PIPOZ/poly(N-vinylcaprolactam) (PVCL) mixtures in aqueous solution were investigated by DSC, temperature-variable (1)H-NMR, optical microscopy and FT-IR spectroscopy measurements accompanied with two-dimensional correlation spectroscopy (2Dcos) and perturbation correlation movin...

Reaction of AlCl(3) with the monoanionic α-diimine ligand [NaL] yielded the complex [L˙(-)Al(III)Cl(2)(-)] (1, L = [(2,6-iPr(2)C(6)H(3))NC(Me)](2)), and subsequent reduction of by sodium metal afforded the mononuclear [L(2-)Al(III)Cl(-)(THF)] (2) and binuclear [L(2-)(THF)Al(II)-Al(II)(THF)L(2-)] (3). Compounds 2 and 3 exhibit interesting reactivities to sodium alkynides at room temperature. Tre...

The 364 nm photoelectron spectra of AuOand AuShave been measured. The electron affinities of AuO and AuS have been determined to be 2.374 ( 0.007 and 2.469 ( 0.006 eV, respectively. The electronic ground states of the neutral diatomics are Πi states, and the spin-orbit splitting between the XΠ1/2 and Π3/2 states is 1440 ( 80 cm-1 for AuO and 1280 ( 60 cm-1 for AuS. A 590 ( 70 cm-1 vibrational p...

The synthesis of the cationic gold(i) complexes [Au(C[triple bond, length as m-dash]CC5H4N)(CH3-PTA)]X (X = I, 1; X = OTf, 4), [Au(C[triple bond, length as m-dash]CC5H4N-CH3)(PTA)]X (X = I, 2; X = OTf = 5; PTA = 1,3,5-triaza-7-phosphatricyclo[3.3.1.13.7]decane) and [Au(C[triple bond, length as m-dash]CC5H4N-CH3)(DAPTA)]X (X = I, 3; X = OTf = 6, DAPTA = 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo...