• Journal of the Korean Chemical Society
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• v.30 no.1
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• pp.9-18
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• 1986

MNDO and STO-3G calculations were performed to determine relative stabilities of rotamers for ${\alpha}$-substituted acetones, $CH_2XCOCH_3$, X = F, Cl, OH, SH, and $NH_2$. It was found that rotamers corresponding to gauche forms are preferred for all the ${\alpha}$-substituents except for X = F and NH$_2$, for which the cis forms were the preferred ones. The stability of gauche form was dictated by the stabilizing two-orbital-two-electron interaction ${\sigma}_{cx}$-${\pi}_{co}^*$, operating uniquely in the gauche form due to the substantial vicinal overlap and energy gap narrowing between ${\sigma}_{cx}$ and ${\pi}_{co}^*$ orbitals. The energy gap narrowing was caused by the lowering of ${\pi}_{co}^*$ level due to the hyperconjugative ${\sigma}_{cx}^*$-${\pi}_{co}^*$ interactions; the red shift in the n-${\pi}^*$ transition was another effect of the relatively large ${\sigma}_{cx}^*$-${\pi}_{co}^*$ splitting. Various ${\sigma}-{\pi}$ interactions in the gauche form were found to be stronger in the third-row hetero atom system, X = Cl and SH. Interactions between nonbonding orbital on N, $n_N$ and vicinal C-C ${\sigma}$ bond were shown to be stronger in the trans than in the cis orientation.

• Bulletin of the Korean Chemical Society
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• v.16 no.10
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• pp.905-907
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• 1995

• Proceedings of the Korean Fiber Society Conference
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• 2003.04a
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• pp.64-67
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• 2003

Poly(trimethylene terephthalate)(이하 PTT)는 1941년 Caligo Printing Ink사의 Whinfield와 Dickson에 의해 중합 방법이 보고[1]된 이후 상업화를 위한 많은 학문적 연구가 이어져왔다. 그럼에도 불구하고 아직 PET에 비하여 기초 연구가 미비하며 상업적으로 사용하기에는 많은 불안정한 요소들을 가지고 있다. 앞선 연구자들이 밝힌바와 같이 PTT의 결정구조는 2개의 단량체가 1개의 unit cell을 이루면서 결정격자 내에서 O-C $H_2$-C $H_2$-C $H_2$-O가 trans-gauche-gauche-trans형의 coiled spring처럼 형성되어 좋은 elastic recovery와 뛰어난 신축성, 염색성 등 우수한 물성을 가지며 전반적인 성질은 PET와 Nylon의 중간성질을 뛰고 있지만 [2,3] 유리전이온도 (Tg : dir 4$0^{\circ}C$)와 냉결정화오도 ( $T_{ c cold}$ : dir 55$^{\circ}C$)사이의 차이가 15$^{\circ}C$ 정도이므로 섬유상에 많은 경시변화가 일으켜 구조적 불안정성을 가지게 한다 [4]. (중략)

• Proceedings of the Korean Fiber Society Conference
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• 2003.10a
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• pp.59-60
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• 2003

The undrawn monofilament of poly (trimethylene terephthalate) (PTT) was obtained by melt-spinning. After being annealed at 40 C it was analyzed by the measurements of DSC, DMA, WAXD and ATR FT-IR. Tg of PTT fiber after annealing for more than 96 hours was 20 C higher than that before annealing as determined by the DSC and DMA measurements. The WAXD analysis showed very weak diffraction peaks at 2$\theta$=17$^{\circ}$ and 2$\theta$=24$^{\circ}$ for the annealing time of more than 96 hours. The ATR FT-IR measurements made clear the conformational change of methylene chains of PTT glycol residue from random to gauche-gauche conformation.

• Archives of Pharmacal Research
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• v.28 no.1
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• pp.16-21
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• 2005

We wanted to elucidate the reason why the trityloxymethyl substituent in $\gamma$-trityloxymethyl-$\gamma$­butyrolactone takes a sterically unfavorable specific conformation, and so we synthesized 5-trityloxymethyldihydrofuran-3-one, 3-(trityloxymethyl)-4-butanolide and 2-trityloxymethyl- tetrahy­drofuran and we then analyzed their conformation by $^{1}H-NMR$ analysis.