The external electric field is a special strategy for generating novel structures.In this work,the intermolecular bonding and nonlinear optical properties are affected by applying an applied electric field of 0 to 9.7...The external electric field is a special strategy for generating novel structures.In this work,the intermolecular bonding and nonlinear optical properties are affected by applying an applied electric field of 0 to 9.77 V·nm^(-1)along the bonding direction of dimer of olympicenyl radical(OLY2).The results showed that the distance between molecular layers was lengthened gradually,and the 2e/20c bonds were weakened or even completely broken(the critical electric field is 9.77 V·nm^(-1))with the increase of the external electric field strength.Moreover,the introduction of an external electric field caused significant changes in the electronic properties of the OLY2,which induced charge transfer between inter-layer monomers,and enhanced the interlayer electrostatic interactions.Therefore,the external electric field not only regulates the interlayer interactions of molecules,but also causes the symmetric molecules to produce strong polarity,producing a large NLO response in OLY2.展开更多
基金Foundation of Science and Technology Department of Jilin Province(20230101043JC).
文摘The external electric field is a special strategy for generating novel structures.In this work,the intermolecular bonding and nonlinear optical properties are affected by applying an applied electric field of 0 to 9.77 V·nm^(-1)along the bonding direction of dimer of olympicenyl radical(OLY2).The results showed that the distance between molecular layers was lengthened gradually,and the 2e/20c bonds were weakened or even completely broken(the critical electric field is 9.77 V·nm^(-1))with the increase of the external electric field strength.Moreover,the introduction of an external electric field caused significant changes in the electronic properties of the OLY2,which induced charge transfer between inter-layer monomers,and enhanced the interlayer electrostatic interactions.Therefore,the external electric field not only regulates the interlayer interactions of molecules,but also causes the symmetric molecules to produce strong polarity,producing a large NLO response in OLY2.
