BYU

Abstract by Gabriel Valdivi

Personal Infomation


Presenter's Name

Gabriel Valdivi

Degree Level

Doctorate

Co-Authors

Adam Wayment
Karissa Kenney
Erika Jackson
Isaac Tangen
Charlie Bahr
Stacey Smith

Abstract Infomation


Department

Chemistry and Biochemistry

Faculty Advisor

Jeremy Johnson
David Michaelis

Title

Optimal packing for molecular terahertz generation crystals: just one carbon away

Abstract

Organic nonlinear optical materials are used for a wide range of applications, including terahertz (THz) light generation. Several strategies have been designed to disrupt anti-parallel arrangements due to dipole-dipole interactions that lead to centrosymmetric structures because non-centrosymmetric packing is essential to obtain a second-order material response. We will show that a cation modification of substituting a methyl by an ethyl group in the ubiquitous organic salt quaternary nitrogen moiety can change  a crystal from centro to non-centrosymmetric. This molecular packing behavior is attributed to site-isolation effects promoted by the ethyl group as shown with Hirshfeld interaction surfaces. This simple engineering strategy impacts the way molecular cations for NLO applications may be designed.