Transannular Interaction in N-Aryl-5-Azocanones, A Semiempirical Quantum Mechanics and UV Spectroscopy Studies
نویسندگان
چکیده مقاله:
The ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional N-phenyl-5-azocanones. The AM1 method is the best with the order of reliability being Am1, PM3, MNDO and MINDO/3. AM1 calculations were then carried out for quantification of transannular interaction. The n(o) ionization potential has been used for this purpose. A linear correlation is found between the n(o) ionization potential and the Hammett substituent constant (s). The UV spectroscopy was used to study the transannular bond formation N-aryl-5-azocanone derivatives.
منابع مشابه
transannular interaction in n-aryl-5-azocanones, a semiempirical quantum mechanics and uv spectroscopy studies
the ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional n-phenyl-5-azocanones. the am1 method is the best with the order of reliability being am1, pm3, mndo and mindo/3. am1 calculations were then carried out for quantification of transannular interaction. the n(o) ionization potential has been used for thi...
متن کاملTransannular Interaction: Molecular Structure and Conformational Properties of N-Aryl-1-Azacyclooctan-5-Ones
Conformational properties of N-aryl-1-azacyclooctan-5- ones with a p-methyl, m-methyl, and p-methoxy group as a substituent have been studied by 1H-NMR, 13C-NMR and IR spectroscopies. Transannular interaction of the two functional groups have been examined from the ring inversion barriers and the carbonyl vibrational frequencies with reference to the corresponding data...
متن کاملtransannular interaction: molecular structure and conformational properties of n-aryl-1-azacyclooctan-5-ones
conformational properties of n-aryl-1-azacyclooctan-5- ones with a p-methyl, m-methyl, and p-methoxy group as a substituent have been studied by 1h-nmr, 13c-nmr and ir spectroscopies. transannular interaction of the two functional groups have been examined from the ring inversion barriers and the carbonyl vibrational frequencies with reference to the corresponding data of the respective monofun...
متن کاملSynthesis, Characterization and Antibacterial Activity Studies of Some N-Acyl-N'-aryl Thiourea Derivatives
Some N¬-acyl-N'-aryl thiourea derivatives 4(a-f) have been prepared by the reaction of acyl halides ammonium thiocyanate and aryl amines. The structures of synthesized compounds have been characterized by IR, 1HNMR spectral studies. The synthesized compounds 5(a-f) have been screened for antibacterial activity. The effect of the structure of the investigated compounds on the antibacterial activ...
متن کاملsynthesis and dna interaction studies of new cobalt (ii) complexes containing different dinitrogen aaromatic ligands with calf thymus dna using different spectroscopy methods
در این مطالعه بر هم کنش این چهار کمپلکس با dna تیموس گوساله توسط روش های اسپکتروفتومتری، فلوریمتری، دو رنگ نمائی دورانی، و ویسکوزیمتری بررسی شدند تا اثر استخلاف های متیل بر روی لیگاندهای فنانترولین بررسی گردد.
Quantum Mechanics from Self-Interaction
We explore the possibility that zitterbewegung is the key to a complete understanding of the Dirac theory of electrons. We note that a literal interpretation of the zitterbewegung implies that the electron is the seat of an oscillating bound electromagnetic field similar to de Broglie’s pilot wave. This opens up new possibilities for explaining two major features of quantum mechanics as consequ...
متن کاملمنابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ذخیره در منابع من قبلا به منابع من ذحیره شده{@ msg_add @}
عنوان ژورنال
دوره 20 شماره 2
صفحات 102- 105
تاریخ انتشار 2001-12-01
با دنبال کردن یک ژورنال هنگامی که شماره جدید این ژورنال منتشر می شود به شما از طریق ایمیل اطلاع داده می شود.
میزبانی شده توسط پلتفرم ابری doprax.com
copyright © 2015-2023