Molecular Rearrangement of an Aza-Scorpiand Macrocycle Induced by pH: A Computational Study
نویسندگان
چکیده
منابع مشابه
Molecular Rearrangement of an Aza-Scorpiand Macrocycle Induced by pH: A Computational Study †
Rearrangements and their control are a hot topic in supramolecular chemistry due to the possibilities that these phenomena open in the design of synthetic receptors and molecular machines. Macrocycle aza-scorpiands constitute an interesting system that can reorganize their spatial structure depending on pH variations or the presence of metal cations. In this study, the relative stabilities of t...
متن کاملUnexpected neutral aza-macrocycle complexes of sodium.
Highly unusual Na(+) complexes with neutral tri- and tetra-amines are isolable in good yield from the reaction of NaBAr(F) with the amine in organic media. Structural characterisation reveals primary Na-N bonding, including an unusual sandwich cation [Na(Me3tacn)2](+), derived from homoleptic N6-coordination via two Me3-tacn ligands, and the distorted 5-coordinate [Na(thf)(Me4cyclam)](+).
متن کاملa genre analytic study of research papers written by bilingual writers and their beliefs: a case of persian-english writers
تحقیق حاضر گزارشی است از تحلیل بخش مقدمه دو دسته از مقالات که عبارتند از: 11 مقاله از دو نویسنده دوزبانه فارسی زبان, که شامل مقدمه 4 مقاله به زبان انگلیسی و چاپ شده در مجلات بین المللی, مقدمه 3 مقاله به زبان انگلیسی و 4 مقاله به زبان فارسی چاپ شده در مجلات داخلی می شود؛ و 12 مقاله از محققان خارجی که در مجله applied linguistics به چاپ رسیده است. مبنای تئوری این تحلیل ها نظریه سوئلز (1990) یا هما...
15 صفحه اولa study on insurer solvency by panel data model: the case of iranian insurance market
the aim of this thesis is an approach for assessing insurer’s solvency for iranian insurance companies. we use of economic data with both time series and cross-sectional variation, thus by using the panel data model will survey the insurer solvency.
A Theoretical Investigation of Kinetics and Mechanism of Aza-Cope Rearrangement
A theoretical study of the kinetic and mechanism of 3-aug-Cope rearrangement in gas phase was performed usingDET methods at B3LYP levels of theory with 6-3114iG(d,p) bass set at 298.I5K. Equilibrium moleculargeometries and harmonic vibrational frequencies of the reactant, transition state Did product were calculated. Then,rate constant and activation thermodynamics parameters were calculated an...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2016
ISSN: 1422-0067
DOI: 10.3390/ijms17071131