A Diamidocarbene-Supported Aminoborylene: Characterization and Discussion of the Elusive Crystal Structure

Five years after we published the synthesis of the first diamidocarbene (DAC)-supported amino borylene 4 , we now report the elusive single crystal X-ray structure. The X-ray structure of 4 was found to corroborate our previous computational studies which indicated that the borylene adopted a hetero...

Full description

Saved in:
Bibliographic Details
Published in:Journal of chemical crystallography 2023-03, Vol.53 (1), p.112-116
Main Authors: Ledet, Anthony D., Reinheimer, Eric W., Hudnall, Todd W.
Format: Article
Language:English
Subjects:
Carbenes
Chemistry
Chemistry and Materials Science
Crystal structure
Crystallography and Scattering Methods
Crystals
Inorganic Chemistry
Organometallic Chemistry
Original Paper
Physical Chemistry
Single crystals
Structure
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Five years after we published the synthesis of the first diamidocarbene (DAC)-supported amino borylene 4 , we now report the elusive single crystal X-ray structure. The X-ray structure of 4 was found to corroborate our previous computational studies which indicated that the borylene adopted a heterocumulenic geometry with a near linear C (carbene)  = B = N unit (175.88(18) ◦ ) as well as short C = B and B = N distances of 1.416(3) and 1.344(3) Å, respectively. Additionally, we further provide a qualitative and quantitative discourse on said structure with respect to the precursor compounds used to prepare 4 as well as to the known cyclic (alkyl) amino carbene (CAAC) analog 2.
ISSN:1074-1542
1572-8854
DOI:10.1007/s10870-022-00950-4