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$AlPO_4-5$ 분자체에서 가교 OH 그룹의 성질에 대한 구조 특성 효과 : MNDO 계산
손만식,이종광,백우현,Son, Man-Shick,Lee, Chong-Kwang,Paek, U-Hyon 대한화학회 1993 대한화학회지 Vol.37 No.9
$AlPO_4-5$ 분자체의 가교 OH 그룹에 대한 성질을 $AlPO_4-5$ 분자체의 구조 특성인 Al-O(P-O) 결합길이와 Al-O-P 결합각에 대한 관계를 알아보기 위하여 가교 $(OH)_3AlOP(OH)_3$ 와 $(OH)_3AlOHP(OH)_3^+$ 덩어리를 이용하여 반경험적 MNDO 계산 방법으로 연구하였다. 가교 OH 그룹의 O-H 결합해리에너지는 Al-O(P-O) 결합길이가 증가할수록, Al-O-P 결합각이 감소할수록 알 수 있었고, 가교 OH 그룹 생성은 Al-O(P-O) 결합길이가 길고, Al-O-P 결합각이 작은 가교 산소원자에서 형성된다는 것을 알았다. 또한 Al-O-P 결합각이 증가할수록 가교 산소원자의 음의 알짜전하는 증가하나 가교 수소원자의 양의 알짜전하는 감소함을 알았다. Semiempirical MNDO calculations are employed to study relation properties on bridging OH group with Al-O(P-O) bond length and Al-O-P bond angle of structural characteristics using birdging $(OH)_3AlOP(OH)_3$ and $(OH)_3AlOHP(OH)_3^+$ model culster. We know that the O-H bond dissociation energy of bridging OH group is increased with increasing Al-O(P-O) bond length and decreasing Al-O-P bond angle. The bridging OH group is formed into enlarged Al-O(P-O) bond length and shortened Al-O-P bond angle in bridging oxygen atom by a hydrogen migration. The negative net charge of bridging oxygen atom is increased with longer Al-O-P bond angle, while the positive net charge is decreased with longer Al-O-P bond angle.
새로운 Acyclonucloside의 합성 : 새로운 $N_1$-Substituted 5-Fluorouracil 유도체의 합성과 그 특성에 관한 연구
정승호,윤용진,이종광,Seung Ho Jung,Yong Jin Yoon,Chong Kwang Lee 대한화학회 1991 대한화학회지 Vol.35 No.3
합성된 2-chloroethyl acrylate를 출발물질로 이용하여 5-fluorouracil의 $N_1$-위치에 각각 hydroxyethyl, acryloyloxyethyl, poly(acryloyloxyethyl)기를 가진 5-fluorouracil 유도체를 높은 수율로 얻었다. 이들 유도체들과 HCl과의 가수분해속도를 물-에탄올(1:1) 혼합용매에서 UV 분광기를 이용하여 측정하였다. 1-hydroxyethyl-5-fluorouracil, 1-acryloyloxyethyl-5-fluorouracil 및 Poly(1-acryloyloxyethyl-5-fluorouracil)의 가수분해속도는 각각 $k=1.38{\times}10^{-4}$sec, $9.25{\times}10^{-5}$/sec, $4.16{\times}10^{-5}$/sec 이었다. 또한, 합성된 5-fluorouracil 유도체의 열분해성에 대해 논의하였다. $N_1-alkyl-5-fluorouracil$ derivatives from 2-chloro-ethylacrylate(CEA) were synthesized. The reaction of 5-fluorouracil(5-FU) with 2-chloroethyl acrylate gave 1-hydroxyethyl-5-fluorouracil(HEFU) in 70% yield. The treatment of HEFU with acryloyl chloride afforded 1-acryloyloxyethyl-5-fluorouracil (AOEFU). Poly(1-acryloyloxyethyl-5-fluorouracil)[Poly(AOEFU)] was also synthesized from 5-fluorouracil and Poly(CEA). The hydrolysis rates of $N_1-alkyl-5-fluorouracil$ derivatives were observed by means of UV spectrophotometer at 265 nm in ethanol-water(1 : 1); k = the constant of hydrolysis rate, $k=1.38{\times}10^{-4}$/sec for HEFU, $k=9.25{\times}10^{-5}$/sec for AOEFU, $k=4.16{\times}10^{-5}$k = 4.16 ${\times}$ $10-5}sec$ for Poly(AOEFU). The differential thermal analysis and thermogravimetry of 5-fluorouracil derivatives have been discussed.
2-Benzamidoacrylic Acid의 자유라디칼 중합에 관한 연구
이종광,정판석 慶尙大學校 기초과학연구소 1987 基礎科學硏究所報 Vol.3 No.-
The free-radical polymerization of 2-benzamidoacrylic acid and the thermal properties of poly(2-benzamidoacrylic acid) were investigated. Polymerization of 2-benzamidoacrylic acid initiated by AIBN has been studied in DMF at 60±0.1℃in nitrogen atmosphere. The initial rate of polymerization was found to be proportional to 0.52 power of AIBN concentration(5.0×10^-3 to 4.0×10^-2M) and 1.05 power of 2-benzamidoacrylic acid concentration(1.41×10^-1 to 1.13M). The overall activation energy for the polymerization was found to be 20.9 kcal/mol within the temperature range 50∼70℃. The DTA thermogram of poly(2-benzamidoacrylic acid) showed an endothermic peak for the first degradation at about 200℃ and an exothermic peak for the second degradation at about 368℃. The TGA thermogram for the first degradation showed that the weight loss was about 64% by decarboxylation at 350℃.