Work

Revisiting conventional noncovalent interactions towards a complete understanding: from tetrel to pnicogen, chalcogen, and halogen bond

Year: 2023

Type: article

Abstract: for TtB, PniB, ChalB, and HalB, respectively. The SAPT2+(3)dMP2 calculations demonstrate that the primary force controlling their strength retains the electrostatic term. Accompanied by the stronger strength of N⋯Si TtB and N⋯Cl HalB, the AIM and NBO results state that they are partly covalent in nature with amounts of 18.57% and 27.53%, respectively. Among various analysis approaches, the force constant of the local N⋯Z stretching vibration is shown to be most accurate in describing the noncovalent interactions.

Source: RSC Advances

DOI: 10.1039/d3ra06078k

Authors: Cam-Tu Phan Dang, Nguyen Minh Tam, Thanh-Nam Huynh, Nguyen Tien Trung

Institutions: Duy Tan University, University of Phan Thiet, Karlsruhe Institute of Technology, Quy Nhon University

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,042

OpenAlex ID: W4387985930

FWCI: 0.691

Cites: 63

Cited by: 7

Related to: 10