Methyl orange-doped thiourea barium chloride crystals: Natural bond orbital analysis of the fock matrix for laser applications.

  • S. Panimalar , P. Kumaresan
  • S. Nithiyanantham*
  • K. Selva Sambath Kumar
  • R. Mohan
Từ khóa: HOMO and LUMO, methyl orange, nonlinear optical studies, thermodynamic parameters, thiourea barium chloride crystal.

Tóm tắt

Pure thiourea barium chloride (TBC) crystals were synthesised using a slow cooling rate (0.05°C/day) and gradual evaporation from an aqueous solution. The growth process occurred over more than 19 days at a temperature of 39°C. Natural bond orbital (NBO) analysis has proven beneficial for studying charge transfer and conjugative interactions in molecular systems...

Tác giả

S. Panimalar , P. Kumaresan

PG & Research Department of Physics, Thiru A. Govindasamy Government Arts College, Tindivanam - 604 307, Tamil Nadu, India

S. Nithiyanantham*

PG & Research Department of Physics, Thiru Vi. Ka. Govt. Arts College, Thiruvarur, Tamilnadu - 610 003, India

K. Selva Sambath Kumar

PG & Research Department of Physics, Arignar Anna Government Arts College, Villupuram - 605 603, Tamil Nadu, India

R. Mohan

Department of Chemistry, Presidency University, Bangalore -560 064, India

điểm /   đánh giá
Phát hành ngày
2023-12-20
In ra
Số. 4C (2023): DECEMBER 2023 - VOLUME 65 NUMBER 4
Chuyên mục
PHYSICAL SCIENCES