Stabilization of D5h and C2v valence tautomers of the croconate dianion.
نویسندگان
چکیده
The non-benzenoid aromatic D(5h) and enediolate C(2v) form of C5O5(2-) have been stabilized by hydrogen bonding with urea and 1,3-dimethylurea, respectively, in the host lattices of two novel crystalline inclusion compounds.
منابع مشابه
Theoretical study of the properties of adenine amino acid tetomers with C60
In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry level. The core and the valence electrons of atoms were compared. Other cases examined in this study, resonance energy, chemical potential (µ ),...
متن کاملLanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.
Three lanthanide one-dimensional coordination polymers, obtained using Ln(3+) salts and croconate dianion, were structurally characterized. Magnetic studies reveal that the gadolinium analogue exhibits a large magnetocaloric effect while single-molecule magnet behaviour is observed in the dysprosium analogue.
متن کاملPhotoelectron spectroscopy of adiabatically bound valence anions of rare tautomers of the nucleic acid bases.
Anionic states of nucleic acid bases (NABs) are involved in DNA damage by low-energy electrons and in charge transfer through DNA. Previous gas phase studies of free, unsolvated NAB parent anions probed mostly dipole-bound states, which are not present in condensed phase environments. Recently, we demonstrated that very rare tautomers of uracil (U), cytosine (C), adenine (A), and guanine (G), w...
متن کاملBound anionic states of adenine.
Anionic states of nucleic acid bases are involved in DNA damage by low-energy electrons and in charge transfer through DNA. Previous gas phase studies of free, unsolvated nucleic acid base parent anions probed only dipole-bound states, which are not present in condensed phase environments, but did not observe valence anionic states, which for purine bases are thought to be adiabatically unbound...
متن کاملA Theoretical Study on the Aromaticity of 5-methylcytosine tautomers in the gas phase
The armaticity of 5 methylcytosine tautomers in the gas phase has been studied and the chemical structures of related tautomers are investigated . The electronic energy, enthalpy and free energy of each tautomer are also estimated at the B3LYP/6-31 G* // B3LYP/6-31 G* and MP2 / 6-31 G* // MP2 / 6-31 G* Levels
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Chemical communications
دوره 4 شماره
صفحات -
تاریخ انتشار 2004