• Journal of the Korean Vacuum Society
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• v.6 no.2
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• pp.151-158
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• 1997

Nitrogen incorporated diamond-like carbon films were deposited by r.f. glow discharge of mixtures of benzene and ammonia gases. Mechanical properties, composition and atomic bond structure were investigated when the fraction of ammonia increases from 0 to 0.79 and the negative self bias voltage of cathode from 100 to 900 V. Both the residual compressive stress and the hardness decrease from 1.7 to 1.0 GPa and from 2750Kgf/$\textrm{mm}^2$ to 1700Kgf/$\textrm{mm}^2$, respectively. In addition to hydrogen, triply bonded nitrogens also play a role of teminal sites of the three dimensional atomic bond network. By considering the hydrogen concentration and the nitrogen bond characteristics, it can be shown that the mechanical properties of the films are determined by the content of three dimensional inter-links of $sp^2$ clusters. Although the mechanical properties are affected by the nitrogen addition, its depedence on the negative bias voltage is qualitatively identical to that of pure diamond-like carbon films.

• Journal of the Korean Chemical Society
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• v.32 no.4
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• pp.297-300
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• 1988

Ammonium p-methylbenzenesulfonate, $C_7H_11NO_3S$, Mr = 189.23, orthorhombic, space group $Pna2-1$, a = 20.406(4), b = 6.271(1), c = 7.067(2)${\AA}$, V = 904.19 ${\AA}^3$, Z = 4, $D_x$ = 1.39, $D_m =1.38g{\cdot}cm^{-3}$, ${\lambda}(M_o K_{\alpha})$ = 0. 71069 ${\AA}$, ${\mu}=3.1 cm^{-1}$, T = 298K, F(000) = 400, final R = 0.057 for 994 unique observed reflections with I > $16{\sigma}(I)$. The methylbenzene portion including the sulfur atom is nearly planar. Between the $SO_3$ groups and the ammonium ion, there are three unique hydrogen bonds; two of which make the anions linked along the c-axis and the remaining one along the b-axis. These hydrogen bonds make two-dimensionally hydrogen-bonded molecular layers. Among these hydrophilic layers, the methylbenzene moieties cluster together to form hydrophobic layers.

• Journal of the Korean Chemical Society
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• v.55 no.3
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• pp.385-391
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• 2011

The time-dependent density functional theory (TDDFT) method has been carried out to investigate the excitedstate hydrogen-bonding dynamics of phenol-$(H_2O)_2$ complex. The geometric structures and infrared (IR) spectra in ground state and different electronically excited states ($S_1$ and $T_1$) of the hydrogen-bonded complex have been calculated using the density functional theory (DFT) and TDDFT method. A ring of three hydrogen bonds is formed between phenol and two water molecules. We have demonstrated that the intermolecular hydrogen bond $O_1-H_2{\cdots}O_3-H$ of the three hydrogen bonds is strengthened in $S_1$ and $T_1$ states. In contrast, the hydrogen bond $O_5-H_6{\cdots}O_1-H$ is weakened in $S_1$ and $T_1$ states. These results are obtained by theoretically monitoring the changes of the bond lengths of the hydrogen bonds and hydrogen-bonding groups in different electronic states. The hydrogen bond $O_1-H_2{\cdots}O_3-H$ strengthening in both the $S_1$ and $T_1$ states is confirmed by the calculated stretching vibrational mode of O-H (phenol) being red-shifted upon photoexcitation. The hydrogen bond strengthening and weakening behavior in electronically excited states may exist in other ring structures of phenol-$(H_2O)_n$.