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Cu(Ⅱ)와 Ni(Ⅱ)의 oxalato, malonato, succinato Ligand 착물의 킬레이트효과에 관한 분자궤도함수론적 해석
李相協,呂煥鎭,趙二永 慶北大學校 1988 論文集 Vol.45 No.-
The chelate effect has beeninterpreted for a series of ML_2 [M=Cu^+2,Ni^+2, L=O_2CCO^-2, O_2CCH_2CO^-2, O_2CCH_2CH_2CO^-2] by means of Extended Hu¨ckel molecular orbital method. The calcalation showed that atomic overlap population of M-O bond and LUMO^*-HOMO^** energy gap are decreased with the greater the number of chelate ring and net charge is increased with the smaller the number of chelate ring. That is, this means that the chelate rings of greatest stability are five-membered.
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송지용, 강초미, 최송이, 이희숙 충북대학교 생활과학연구소 2012 생활과학연구논총 Vol.16 No.2
The purpose of this study was to find the cognition & purchasing behaviors of dietary supplements among the Elderly. One hundred subjects who were over age 60 and living in Cheongju was selected, face to face questionnaire survey was conducted during April 4 to 15, 2011. Frequency, percent, average were utilized for analyzing data using SPSS 17.0. Major findings were as following. First, most of respondents(77.0%) thought that dietary supplements is the foods for enhancing health, which is right answer. Second, most respondents(68.0%) had dietary supplements informations from TV, radio, resulting from that old people stay at home alone with TV. Third, 24.0% of respondents did not understood at all the statement accompanied with dietary supplements goods. This result implied that the statement with goods should be written in proper ways for the elderly. Fourth, 51.7% of respondents spent 200,000 won and 43.7% spent 400,000 won per a buying respectively. And respondents bought dietary supplements mainly in terms of home shopping and internet(41.3%), department store & big shopping mall(16%). Fifth, 54.0% of respondents experienced dis-satisfaction or damages from dietary supplements. And most of them did not anyone or simply told their peer group about their dis-satisfaction or damages.
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[Pd(ONN)Cl] 착물의 SCN$^-$, CN$^-$, N$_3^-$, Imidazole, Pyridine에 대한 치환반응 속도연구 (제 1 보)
오상오,여환진,조이영,Oh Sang-Oh,Yeo, Hwan Jin,Cho Iee Yeung 대한화학회 1991 대한화학회지 Vol.35 No.4
친핵치환반응 ([Pd(ONN)Cl] + Y$^-\;{\rightleftharpoons}$ [Pd(ONN)Y] + Cl$^-$ ; Y = SCN$^-$, CN$^-$, N$_3^-$, imidazole, pyridine)속도를 25 ~ 45$^{\circ}C$ 범위에서 분광광도법으로 측정하였다. 친핵체의 반응성상수, n$_{Pd}^{\circ}$를 계산했으며 그 값은 CN$^-$ > SCN$^-$ > N$_3^-$ > Imidazole > Pyridine의 순서였다. 활성화엔탈피(${\Delta}H^{\neq}$)는 작은 양(+)의 값을, 활성화엔트로피(${\Delta}S^{\neq}$)는 큰 음(-)의 값을 가졌다. 이 결과로 보아 이 착물의 친핵 치환반응은 회합(A) 메카니즘으로 진행됨을 알 수 있었다. Rates of nucleophilic substitution reaction ([Pd (ONN) Cl] + Y$^-\;{\rightleftharpoons}$ [Pd (ONN)Y] + Cl$^-$ ; Y = SCN$^-$, CN$^-$, N$_3^-$, imidazole, pyridine) have been measured in methanol by spectrophotometric method at various temperatures. A set of nucleophilic reactivity constants, n$_{Pd}^{\circ}$ has been calculated. These values show an order of nucleophilicity CN$^-$ > SCN$^-$ > N$_3^-$ > Imidazole > Pyridine. The enthalpy of activation are small positive values and the entropy of activation are large negative values. From these results, it can be inferred that the nucleophilic substitution reaction proceeds through an associative (A) mechanism.
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Co(Ⅱ)-porphyrin 착물과 중성 및 음이온 리간드 사이의 평형
呂煥鎭,李相協,林鍾完,趙二永,柳相薰 慶北大學校 1990 論文集 Vol.49 No.-
Axial ligation for the reaction of Co(p-OCH_3) TPP with various ligands was studied by spectrophotometric method. Equilibrium constants for the ligation reaction were determined from the electronic absorption spectra. For the equilibria of reaction between Co(p-OCH_3)TPP and polar solvents(DMF, DMSO, THF), the order of the equilibrium constant (k_1) are; DMSO>DMF>THF In the case of the ligands are unsaturated amines (Pyridine, Imidazole, Lutidine), ligand binding to Co(Ⅱ)-prophyrin may be associated not only with the donation of electrons from the ligand to the cobalt atom (σ-bonding) but also with the interaction of the d-orbitals of cobalt with π^*-orbital of the ligand(π-back bonding). The order of the coordination capability of the amine ligands was given by; Pyridine>Imidazole>Lutidine The equilibrium constants for anionic ligands were decreased with increasing dielectric constant of the solvent.
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정종재,여환진,최종하,조이영,Jong-Jae Chung,Hwan-Jin Yeo,Jong-Ha Choi,Iee-Yeung Cho 대한화학회 1989 대한화학회지 Vol.33 No.6
$[M(NH_3)_5Cl]^{2+}$착물에 대하여 상대론적으로 파라미터화된 확장 Huckel(REX) 계산을 수행하였다. 궤도함수 및 overlap population에 대한 계산 결과는 실험적인 자료와 일치하였다. 또한 전자구조에 대하여 상대성 효과를 감안한 REX와 비상대론적인 EHT의 계산 결과를 서로 비교하였다. 이들 착화합물의 M-Cl 결합에 대한 파이 결합성은 $d^6$계 착물에서 보다 $d^3$ 및 $d^5$계 착물의 경우가 더 중요함을 알 수 있었다. The relativistically parameterized Extended Huckel (REX) calculations are carried out for $[M(NH_3)_5Cl]^{2+}$ (M = Cr, Co, Ru, Rh, Os, Ir). The calculated orbital and overlap populations agree with experimental data. The REX calculations on the electronic structure have been also compared with nonrelativistic EHT results. A ${\phi}$-bonding in M-Cl bond is founded to be more important for the $d^3$, $d^5$complexes than the $d^6$ system.
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사각평면형 백금(Ⅱ) 착물의 트란스효과에 대한 분자궤도함수론적 해석
박병각,이상협,여환진,조이영,Byung-Kak Park,Lee Sang-Hyup,Hwhan-Jin Yeo,Iee-Yeung Cho 대한화학회 1988 대한화학회지 Vol.32 No.5
trans-[$PtNH_3Cl_2L$] (L = $H_2O$, $NH_3$, $Cl^-$, $Br^-$, $I^-$, $CH_3$ 및 $PH_3$)형 백금(Ⅱ)착물계열의 트란스효과를 설명하기 위해 필자들이 수정한 확장 Huckel MO법을 사용했다. 계산에 의하면 L이 보다 좋은 트란스배향리간드일수록 L의 트란스자리에 있는 Pt-N의 결합의 reduced overlap population(ROP)은 감소했다. 즉 이 사실은 보다 좋은 트란스배향리간드 일수록 트란스 효과가 증대되었다. 따라서 일반적인 trans-[$PtTL_2X$] 착물의 트란스효과를 양자화학적으로 설명할 수 있었다. The trans effect has been interpreted for a series of trans-[PtNH$_3$Cl$_2$2L] (L = H$_2$O, NH$_3$, Cl$^-$, Br$^-$, I$^-$, CH$_3$ and PH$_3$) and PtCl$_4^{-2}$ by means of our modified-EHMO method. The calculation shows that reduced overlap population(ROP) of Pt-N bond trans to L is decreased with a better trans director. That is, the trans effect has been found to be enhanced with a better trans director. Accordingly, it could be interpreted quantum chemically the trans effect for a general trans-PtTL$_2$X complex.
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