Direct evidence of a multicentre halogen bond: unexpected contraction of the P-XXX-P fragment in triphenylphosphine dihalides.

نویسندگان

  • Kirill Nikitin
  • Helge Müller-Bunz
  • Declan Gilheany
چکیده

Triphenylhalophosphonium halides, Ph(3)PX(2), form crystals comprising bridged linear cations [Ph(3)P-X-X-X-PPh(3)](+) where the X(3) bridge is shortened from 6.56 Å in Cl-Cl-Cl to 6.37 Å in the Br-Br-Br system. It is proposed that this structure is stabilised by five-centre/six-electron (5c-6e) hypervalent interactions.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Natural Bond Orbital (NBO) Study of (5H-tetrazol-1-yl)(triphenylphosphine)gold [Au(tetz)(PPh3)]

In this research work, we studied theoretically the structural properties of (5H-tetrazol-1-yl)(triphenylphosphine)gold or [Au(tetz)(PPh3)] by density functional theory (DFT) method at LANL2DZ level. All calculations were performed at 298.15 K and 1 atmosphere. Firstly, the bond lengths, bond angles, dihedral angles and natural charge density on atoms of the compound were calculated. The depend...

متن کامل

Ab Initio Studies on the Interplay between Unconventional B•••X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2•••XCN•••YF (X = Cl, Br; Y = Li, H, Cl) Complexes

In this paper, ab initio calculations were performed on the ternary complex formed by HB(CO)2, XCN (X = Cl, Br) and YF (Y = Li, H, Cl). In these complexes boron act as a non-classical electron donor to form a unconventional halogen bond. The cooperative effect between the B•••X halogen bond and lithium/hydrogen/halogen bond was investigated. The calculated results show that the B•••X and N•••Y ...

متن کامل

Comparison of the Effect of Three LED Light Modes and Conventional QTH Curing Light on Shear Bond Strength of Composite to Dentin

  Objective: Shear bond strength is an important property inherent to the durability of tooth-colored restorative materials namely composite resins. It has been years that halogen light sources have been used for polymerization of composite resins. In recent years Light Emitting Diodes (LED) have been introduced for this purpose. With respect to their longer bulb life, needless of a filter and ...

متن کامل

Utility of Triphenylphosphine Dihalides in Organic Reactions : Esterification Using Triphenylphosphine Dibromide as the Dehydrating Agent

A new esterification method was investigated using triphenylphosphz'ne dibromide as a dehydrating agent. This investigation has established that the method is useful when the acid is aromati~ or arylallylic. That primary and secondary alcohols esteTZfy acid satisfactorily whereas tertiary alcohols fail to react was also established in this experiment.

متن کامل

بررسی فراوانی میزان دی باندینگ براکت ارتودنسی Creative و عوامل مرتبط با آن در بیماران یک مرکز خصوصی در سال‌های 91-1380

  Background and Aims: The aim of this descriptive longitudinal study was to determine the type of teeth that were more prone in accidental bracket debonding and also to investigate the relationship between broken bracket bond and intervening factors such as age, type of malocclusion and sex.   Materials and Methods: We used a pilot study to determine the correct sample size for this study. Acc...

متن کامل

ذخیره 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 نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Chemical communications

دوره 49 14  شماره 

صفحات  -

تاریخ انتشار 2013