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REFERENCE LINKING PLATFORM OF KOREA S&T JOURNALS
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Journal of the Korean Chemical Society
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Journal DOI :
Korean Chemical Society
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Volume & Issues
Volume 22, Issue 6 - Dec 1978
Volume 22, Issue 5 - Oct 1978
Volume 22, Issue 4 - Aug 1978
Volume 22, Issue 3 - Jun 1978
Volume 22, Issue 2 - Apr 1978
Volume 22, Issue 1 - Feb 1978
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MO Studies of Configuration and Conformation (Ⅳ). Conformations of N-Acetyl Pyrrolidone and Its Protonated Form
Ikchoon Lee ; Suk Kee Lee ; Shi Choon Kim ; Young Gu Jeon ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 55~61
MO theoretical studies on the conformations of N-acetylpyrrolidone and its protonated form were carried out by the EHT and CNDO/2 methods. According to our calculated results, the heavy atom skeleton of this molecule is planar, and the trans-trans planar conformation is more stable than cis-trans. The protonation occurs most readily on the ring carbonyl oxygen. These results were interpreted in terms of conjugative, electrostatic and steric effect.
Calculation of the Polarizability for Simple Molecules by the Variation Method
Sangwoon Ahn ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 62~66
The polarizability tensor components for
and CO molecules are calculated by the variation method. The parallel components of the polarizability are closer to the experimental values than those of CNDO/2, MINDO/1 and MINDO/2, but the perpendicuar components of the polarizability are not closer to the experimental values than those of the other methods.
A Study of the Cubic Field Splitting Parameter 10Dq by Means of One-Center Expansion of Complex MO
Hojing Kim ; Sangyoub Lee ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 67~77
MO's of a complex are expanded in terms of the set of Shull-Lowdin functions based on a single point, the nucleus of central metal ion, and the result was interpreted from the viewpoint of perturbation theory. We find that even in the case of
, which has relatively small covalency, excited configurations with high orbital angular momentum are considerably mixed into
, orbitals of central metal ion, and that the distortions in these orbitals differ from each other. Therefore it is concluded that the energy difference between
, orbitals evaluated in the MO scheme has little meaning of the unique parameter 10Dq in the crystal field theory, and that such a unique parameter cannot be defined in a rigorous sense in the MO scheme.
Application of a New Theory of Multilayer Physical Adsorption to the Study of Adsorption of Gases
Seihun Chang ; Jo W. Lee ; Hyungsuk Pak ; Sang Hwa Han ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 78~85
In this paper a modified version of the theory of multilayer phsyical adsorption developed previously by the authors is presented. This new theory is applied to various adsorbent-adsorbate systems and excellent agreements between theoretical results and the observed data are obtained for Type Ⅱ and Type Ⅲ adsorption. In addition, the Type Ⅰ isotherm, which was not accounted for previously, can also be explained in terms of the newly derived isotherm. It is conjectured that two parameters involved in this theory, q/q1 and a, are somehow related to the heat of adsorption.
The Crystal and Molecular Structure of Theophylline Hydrochloride
Chung Hoe Koo ; Hyun So Shin ; Sun Suk Oh ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 86~94
The crystal and molecular structure of theophylline hydrochloride has been determined from X-ray data by Patterson techniques. The structure has been refined by block-diagonal least-squares and Fourier synthesis on three dimensional data. The unit cell is orthorhombic, space group
, with a = 14.01, b = 11.49, c = 6.77
, and contains four molecules. The final R value based on 743 observed reflexions is 12.2%. The intramolecular distances are similar to those in other compounds containing a purine or pyrimidine group. The molecules are nearly planar and are stacked in layers parallel to the (001)plane. The chlorine atom is coordinated to N(1) atom at a distance of 3.06
. The structure is stabilized mainly by van der Waals interactions; however, a short N
Cl contact of length
, which is slightly less than the expected van der Waals separation, suggest that weak charge transfer interaction may be present. The relationship between this structure and the known structures of theophylline monohydrate and caffeine monohydrate are discussed.
The Origin of Diamonds (I). Experimental Data
R. LEverett angford ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 95~98
Using gases trapped within natural diamonds as defected by crushing in the sample system of a research mass spectrometer, a proposed gaseous environment for the formation of diamonds is presented. Diamonds crushed under a vacuum of
torr at a temperature of
yielded in order of abundance, water, hydrogen, nitrogen, carbon dioxide, methane, carbon monoxide, argon, and ethanol.
Platinum(II) Complexes of 2,2-bis(Methylaminomethyl)-1,3-dioxolane
Moo-Jin Jun ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 99~104
The synthesis of a bidentate secondary amine ligand, 2,2-bis(methylaminomethyl-2,3-dioxolane(methylaminomethyl)-1,3-dioxolane(mexo) and the preparation of dichloro and trans-R-cyclohexanediamine platinum(II) complexes of this ligand are reported. The structures of the ligand and complexes prepared have been elucidated via elemental analyses, nmr, electronic absorption, and CD spectra.
Quantitative Analysis of Graphite Contents in Some Korean Anthracites by X-Ray Diffraction Method
Moo Young Son ; Myung Soo Chung ; Sung Ill Cho ; Chung Hoe Koo ;
Journal of the Korean Chemical Society, volume 22, issue 2, 1978, Pages 105~110
Twenty two Korean anthracites obtained places were quantitatively analyzed by the internal standard method and direct method. The range of deviation the results obtained by the two methods is about
3%. The ratio of graphite to amorphous carbon contents of each samples is very different according to the district of coal mine. The ratio of graphite contents in Mun Kyung district is from 14 to 24 %, Dae Chun district is from 12 to 14 % and Kang Won district is from 3 to 5 %. We have known athat the anthracites of Kang Won district are the least graphite contents.