Issue 13, 2007

Theoretical and spectroscopic study of the reaction of diethylhydroxylamine on silicon(100)-2×1

Abstract

Incorporating diversity into structures constructed from the organic modification of silicon surfaces requires the use of molecules that contain multiple substituents of different types. In this work we examine the possible dissociation pathways of diethylhydroxylamine (DEHA, (C2H5)2NOH) on the surface of clean silicon(100)-2×1 using cluster and planewave computational methods and high resolution electron energy loss spectroscopy. Our computational results show that DEHA initially forms a strongly-bound complex with the surface via a dative N–Si bond. A low-barrier O–H bond scission then occurs yielding a surface silicon dimer capped by the (C2H5)2NO and H fragments. Calculated and measured vibrational spectra support the computed reaction mechanism.

Graphical abstract: Theoretical and spectroscopic study of the reaction of diethylhydroxylamine on silicon(100)-2×1

Supplementary files

Article information

Article type
Paper
Submitted
18 Sep 2006
Accepted
09 Jan 2007
First published
05 Feb 2007

Phys. Chem. Chem. Phys., 2007,9, 1629-1634

Theoretical and spectroscopic study of the reaction of diethylhydroxylamine on silicon(100)-2×1

G. A. DiLabio, S. A. Dogel, A. Anagaw, J. L. Pitters and R. A. Wolkow, Phys. Chem. Chem. Phys., 2007, 9, 1629 DOI: 10.1039/B613510B

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements