A unique N(+)-H···N hydrogen-bonded (H-bonded) dimer motif based on partially oxidized pyridyl-substituted TTF was constructed in the charge-transfer complex. The charge ordering in the TTF column by the charge disproportionation in the dimer regulates the arrangement of the H-bonded proton, evidencing the proton-electron coupled state.

Reaction of cadmium thio-cyanate with 2-chloro-pyrazine leads to the polymeric title compound, [Cd(NCS)2(C4H3ClN2)2] n . The Cd(II) cation, which is located on a center of inversion, is coordinated by two N-bonded and two S-bonded thio-cyanate anions and by two N-bonded 2-chloro-pyrazine ligands within a slightly distorted octa-hedron. The Cd(II) cations are linked into chains along the a axis ...

The Cu(II) atom in the title compound, [Cu(NO(3))(2)(C(20)H(40)N(4))], is N,N',N'',N'''-chelated by the macrocyclic ligand: the four N atoms form a square, above and below which are located the O atoms of the nitrate ions. The metal atom exists in a tetra-gonally distorted octa-hedron, on a special position of [Formula: see text] site symmetry. One of the amino groups is hydrogen bonded to an O...

The vibrations of pyrrole, N-deuteropyrrole, N-fluoropyrrole, N-aminopyrrole and N-methylpyrrole are studied. evolution the vibrational wavenumbers pyrrole is examined, as mass nitrogen-bonded hydrogen atom artificially increased. It found that some very sensitive to substituent bonded nitrogen, this can be viewed mixing increases; however, these mixings stablilize by time a 14 mu reached. A co...

the aim of this study was to compare the shear bond strength (sbs) of resin modified glass ionomer (rmgi) and composite resin for bonding metal and ceramic brackets.eighty-eight human premolars extracted for orthodontic purposes were divided into 4 groups (n=22). in groups 1 and 2, 22 metal and ceramic brackets were bonded using composite resin (transbond xt), respectively. twenty-two metal and...

In the title compound, C(5)H(8)N(3) (+)·Cl(-), the cation and the anion lie on a mirror plane and are hydrogen bonded in a three-dimensional network via the H atoms of the two hydrazine N atoms. The pyridine N atom is protonated and hydrogen bonded to the terminal hydrazine N atom.

In this study, paraphenylenediamine was first bonded to the fullerene and was optimized geometrically by Using the quantum chemistry methods. paraphenylenediamine was examined in the isolated state and in the fullerene-bonded state via carbon atoms. In the theoretical research, the simulation was done by the Gauss View software. Then, the bonding orbital calculation was done by using the NBO me...

In the crystal structure of the title compound, C(8)H(12)N(+)·Cl(-), all H atoms bonded to the ammonium N atom are hydrogen bonded to the chloride ions, with N⋯Cl distances in the range 3.080 (2)-3.136 (2) Å, resulting in 16-membered macrocyclic rings involving four formula units of the title compound.