The two-dimensional (2D) surface-directed self-assembly of dibenzonitrile diacetylene (DBDA) on Ag(111) under ultrahigh vacuum (UHV) conditions was investigated by combining scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS) and theoretical simulations based on density functional theory (DFT) calculations. The molecule consists of two benzonitrile groups (-C6H4-C[triple...

New Schiff-base compound (E)-4-methoxy-N-(4-hydroxybenzylidene) aniline has been synthesized from the reaction of 4-hydroxybenzaldehyde with 4-methoxyaniline in methanol at 50ºC, and has been characterized by using elemental analysis and FT-IR spectroscopy. The crystal structure of the title compound has been determined by single crystal X-ray diffraction study. The title compound crystallizes ...

This study uses molecular dynamics simulations to investigate the crystalline process of Co-Cu nanoparticles of high and low Co concentrations (5 and 25%) during the annealing process. The modified many-body tight-binding potential involving magnetic contribution is adopted to accurately model the Cu-Cu, Co-Co, and Co-Cu pair interactions. The Co-Co bond length increases, while the Co-Cu bond l...

Saligenin (2-(hydroxymethyl)phenol) exhibits both strong and weak intramolecular electrostatic interactions. The bonds that result from these interactions compete with intermolecular hydrogen bonds once saligenin binds to one or more water molecules. Infrared (IR) ultraviolet (UV) ion-dip spectroscopy was used to study isolated saligenin-(H2O)n clusters (n = 1-3) in the far- and mid-IR regions ...

The title dispiro hydrocarbon 1 was designed as a new electrochromic material. This multiply clamped hexaphenylethane-type electron donor was prepared from 2,2'-diiodobiphenyl via biphenyl-2,2'-diylbis(dibenzotropylium) 22+ salt. X-ray analysis of 1 revealed a highly strained structure as reflected by an elongated "ethane" bond [bond length: 1.6665(17) Å] and nearly eclipsed conformation. The w...

The title compound, C(13)H(13)N(2)O(+)·Cl(-), (1), was obtained as a colorless crystalline by-product during the synthesis of N-(2-pyridylmeth-yl)benzoyl-amine (2). The C-O bond length of 1.231 (2) Å in the benzoyl unit of (1) is slightly elongated in comparison with isolated C=O double bonds as also observed for (2) [1.237 (2) Å]. The N-C bond length of 1.345 (2) Å in the benzoic acid amide un...

Three μ-X bridged diiron octapropylporphyrazine complexes having Fe(III)-O-Fe(III), Fe(+3.5)-N[double bond, length as m-dash]Fe(+3.5) and Fe(IV)[double bond, length as m-dash]C[double bond, length as m-dash]Fe(IV) structural units have been prepared and characterized by UV-vis, EPR, X-ray absorption spectroscopy and electrochemical methods. Single crystals of all the complexes were obtained fro...

Caps in α-Keggin-type polyoxometalates [PM2Nb12O40](9-) (M: Nb[double bond, length as m-dash]O or V[double bond, length as m-dash]O) can be removed in basic condition to produce uncapped [PNb12O40](15-). Transmetalation or capping occurs from the reaction of [PNb14O42](9-) or [PNb12O40](15-) with either Sb2O3 or V2O5 to form [PSb2Nb12O40](9-) or [PV2Nb12O42](9-), respectively.

Elemental sulfur (S8) was found to react with [(TMPA)CuI(CH3CN)]+ to form the trans-mu-1,2 end-on disulfide complex [(TMPA)Cu-S-S-Cu(TMPA)]2+. The X-ray structure of this centrosymmetric disulfide complex shows a Cu(1)-S(1) bond length of 2.280(2) A and a S(1)-S(1A) bond length of 2.044(4) A.