Observation of a two-dimensional halogen-bonded cocrystal at sub-monolayer coverage using synchrotron X-ray diffraction.
نویسندگان
چکیده
The formation of two-dimensional halogen-bonded layers of 4,4'-bipyridyl and 1,4-diiodotetrafluorobenzene was observed on a graphite surface at sub-monolayer coverage using synchrotron X-ray diffraction; the use of the diffraction technique enabled, for the first time, the measurement of I···N halogen bonding distances in a two-dimensional cocrystal and the identification of the halogen bonding interaction in the monolayer.
منابع مشابه
Combined Diffraction and Density Functional Theory Calculations of Halogen-Bonded Cocrystal Monolayers
This work describes the combined use of synchrotron X-ray diffraction and density functional theory (DFT) calculations to understand the cocrystal formation or phase separation in 2D monolayers capable of halogen bonding. The solid monolayer structure of 1,4-diiodobenzene (DIB) has been determined by X-ray synchrotron diffraction. The mixing behavior of DIB with 4,4'-bipyridyl (BPY) has also be...
متن کاملSupramolecular self-assembled network formation containing N···Br halogen bonds in physisorbed overlayers.
The formation of a halogen bonded self-assembled co-crystal physisorbed monolayer containing N···Br interactions is reported for the first time. The co-crystal monolayer is identified experimentally by synchrotron X-ray diffraction and the structure determined. Density functional theory (DFT) calculations are also employed to assess the magnitudes of the different interactions in the layer. Sig...
متن کاملIn-situ synchrotron wide-angle X-ray diffraction as a rapid method for cocrystal/salt screening.
The purpose of this work was to explore in-situ synchrotron wide-angle X-ray diffraction (WAXD) as a rapid and accurate tool to screen and monitor the formation of cocrystal/salts during heating. The active pharmaceutical ingredients (caffeine, carbamazepine and lamotrigine) were respectively mixed with the coformer (saccharin), and then heated by the hot stage. Real-time process monitoring was...
متن کامل13C and 19F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles.
Halogen bonding is a noncovalent interaction between the electrophilic region of a halogen (σ-hole) and an electron donor. We report a crystallographic and structural analysis of halogen-bonded compounds by applying a combined X-ray diffraction (XRD) and solid-state nuclear magnetic resonance (SSNMR) approach. Single-crystal XRD was first used to characterize the halogen-bonded cocrystals forme...
متن کاملDetection of breast cancer using non-invasive X-ray diffraction technique of hair: A preliminary study
Background: An early diagnosis of breast cancer relates directly to an accurate treatment plan and strategy. Early detection of breast cancer before its development would be a significant reduction of morbidity and mortality rates. The aim of this preliminary study is to investigate the sensitivity of Wide Angle X-ray diffraction (WAXRD) method on women hair samples of healthy and breast cancer...
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 47 9 شماره
صفحات -
تاریخ انتشار 2011