Study of boron-nitrogen dative bonds using azetidine inversion dynamics.
نویسندگان
چکیده
A method for probing the strength of B-N dative bonds is reported. The activation parameters for nitrogen inversion in a series of azetidines tethered to boronate esters have been quantified by VT-NMR and the measured barriers correlated with data obtained by (11)B NMR, X-ray crystallography and MP2 calculations.
منابع مشابه
Supramolecular polymers based on dative boron-nitrogen bonds.
Heteroditopic monomers containing an arylboronate ester and a dialkyl-4-aminopyridine group aggregate via dative boron-nitrogen bonds to give main chain supramolecular polymers. The degree of polymerization can be tuned by changing the electronic and steric properties of the boronate ester.
متن کاملSupramolecular gels based on boronate esters and imidazolyl donors.
Dative boron-nitrogen bonds can be used for the controlled assembly of boronate esters and N-donor ligands. So far, most investigations have focused on crystalline assemblies. In contrast, there are very few reports about soft materials based on dative B-N bonds. Here, we describe the formation of gels by aggregation of diboronate esters and ditopic bisimidazolyl donor ligands. Analyses of low ...
متن کاملA four-component organogel based on orthogonal chemical interactions.
A thermoresponsive organogel was obtained by orthogonal assembly of four compounds using dynamic covalent boronate ester and imine bonds, as well as dative boron-nitrogen bonds. It is shown that the gel state can be disrupted or reinforced by chemicals which undergo exchange reactions with the gel components.
متن کاملAn Intramolecular Boron Nitrogen Lewis Acid Base Pair on aRigid Naphthyl Backbone
In the field of polyfunctional Lewis acids [1] the preorganisation of the Lewis acidic sites can be achieved employing rigid backbones. Ortho-substituted benzenes [2], peri-substituted naphthalene [3 – 6] and 1,8substituted anthracene [7, 8] offer promising applications as such backbones in the field of host-guest chemistry [9]. Furthermore, these frameworks can induce unusual interactions betw...
متن کاملValidity of current force fields for simulations on boron nitride nanotubes
Past molecular dynamics (MD) studies of boron nitride nanotubes (BNNTs) have used van der Waals parameters from generic force fields, combined with various values for the partial charges on the boron and nitrogen atoms. This study explores the validity of these parameters by first using quantum chemical packages Car-Parrinello molecular dynamics (CPMD) and Gaussian to compute partial charges fo...
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 49 25 شماره
صفحات -
تاریخ انتشار 2013