Photochromism Study in Some 4-Thiopyran Derivatives

Theoretical studies on thiabenzene and its fused derivatives: DFT and ab initio computations

“…The derivatives of thiabenzenes are also synthesized and the effects of electron donating and withdrawing groups on them are studied [4][5][6][7][8]. Here, we are interested in the intramolecular conversion of thiabenzenes to 4H-and 2H-thiopyrans [12][13][14][15]. Therefore, followingup our previous work [16], we report the ab initio and DFT calculation on thiabenzene and its fused analogues.…”

<b>DFT calculations on 1-hetero-2,5-cyclohexadiene-1-oxide: molecular structure and stability</b>

“…1-Hetero-2,5-cyclohexadienes, X, specially 4H-thiopyrans are of interest to the chemists due to their corresponding photochromic and photoisomeric characters [1][2][3][4][5][6]. Therefore, we studied the structure of 1-hetero-2,5-cyclohexadiene, X, through DFT calculations [7].…”

An Efficient and Improved Method for the Synthesis of Bis(arylmethylidene)thiopyranones

“…We are interested in the development of the chemistry of thiopyran structures. 1 Substituted derivatives of tetrahydrothiopyran-4-one (1) are useful synthetic precursors and direct substitution at different positions of 1 is therefore interesting. 2 The substituted products of 1 are attractive as well since they could be converted via removal of a sulfur atom to a,b-unsaturated ketones, which are not easily prepared by direct standard procedures.…”