Gauging aromatic conjugation and charge delocalization in the aryl silanes PhnSiH4−n (n = 0–4), with silicon K-edge XAS and TDDFT-Reference-Cited by-同舟云学术

Gauging aromatic conjugation and charge delocalization in the aryl silanes PhnSiH4−n (n = 0–4), with silicon K-edge XAS and TDDFT

Published:2020 Issue:37 Volume:49 Page:13176-13184
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Phillips Nicholas A.¹²³⁴⁵,Smith Patrick W.⁵⁶³⁴^ORCID,Tilley T. Don¹²³⁴⁵^ORCID,Minasian Stefan G.¹²³⁴^ORCID

Affiliation:

1. Chemical Sciences Division

2. Lawrence Berkeley National Laboratory

3. Berkeley

4. USA

5. Department of Chemistry

6. University of California

Abstract

Si K-edge X-ray absorption spectra (XAS) have been measured experimentally and calculated using time-dependent density functional theory (TDDFT) to investigate electronic structure in aryl silanes, Ph_nSiH_4−n (n = 0–4).

Funder

U.S. Department of Energy

National Science Foundation

Basic Energy Sciences

Natural Sciences and Engineering Research Council of Canada

University of Saskatchewan

Western Economic Diversification Canada

National Research Council Canada

Canadian Institutes of Health Research

National Institutes of Health

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/DT/D0DT03153D

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