First-order hyperpolarizabilities of propellanes: elucidating structure–property relationships-Reference-Cited by-同舟云学术

First-order hyperpolarizabilities of propellanes: elucidating structure–property relationships

Published:2022 Issue:22 Volume:24 Page:13534-13541
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Krajewski Bartosz¹^ORCID,Rajput Swati Singh²,Chołuj Marta³,Wojaczyńska Elżbieta³^ORCID,Miniewicz Andrzej³^ORCID,Alam Md. Mehboob²^ORCID,Zaleśny Robert³^ORCID

Affiliation:

1. Department of Theoretical Physics, Faculty of Fundamental Problems of Technology, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, PL-50370, Wrocław, Poland

2. Department of Chemistry, Indian Institute of Technology Bhilai, Sejbahar, Raipur, Chhattisgarh, 492015, India

3. Faculty of Chemistry, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, PL-50370, Wrocław, Poland

Abstract

In this study we aim to investigate, employing electronic and vibrational-structure theories, “structure–first hyperpolarizability” relationships for a series of 16 propellanes presenting a wide palette of substituents with varying electron-accepting/donating capabilities.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP00381C

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