Synthesis and Reactivities of Triphenyl Acetamide Analogs for Potential Nonlinear Optical Material Uses

被引：12

作者：

Israr, Hira ^{[1
]}

Rasool, Nasir ^{[1
]}

Rizwan, Komal ^{[1
,2
]}

Hashmi, Muhammad Ali ^{[3
,4
]}

Mahmood, Tariq ^{[5
]}

Rashid, Umer ^{[6
]}

Hussein, Mohd Zobir ^{[6
]}

Akhtar, Muhammad Nadeem ^{[7
]}

机构：

[1] Govt Coll Univ, Dept Chem, Faisalabad 38000, Pakistan

[2] Govt Coll Women Univ, Dept Chem, Faisalabad 38000, Pakistan

[3] Victoria Univ Wellington, Sch Chem & Phys Sci, Wellington 6012, New Zealand

[4] Univ Educ, Dept Chem, Attock Campus, Attock 43600, Pakistan

[5] COMSATS Univ Islamabad, Dept Chem, Abbottabad Campus,Univ Rd, Abbottabad 22060, Pakistan

[6] Univ Putra Malaysia, Inst Adv Technol, Upm Serdang 43400, Selangor, Malaysia

[7] Univ Malaysia Pahang, Fac Ind Sci & Technol, Gambang 26300, Malaysia

来源：

SYMMETRY-BASEL | 2019年 / 11卷 / 05期

关键词：

aniline; Suzuki coupling; density functional theory; reactivity; palladium; optical; CROSS-COUPLING REACTIONS; DENSITY-FUNCTIONAL THEORY; ELECTRON-AFFINITY; SOLVATION; MOLECULES; MODEL; FLUORESCENCE; DERIVATIVES; COMPLEXES; CRYSTAL;

D O I：

10.3390/sym11050622

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

We have synthesized aniline based amides (3a-h) via palladium catalyzed Suzuki cross coupling of N-(2,5-dibromophenyl) acetamide with different arylboronic acids in moderate to good yields. A variety of functional groups were well tolerated in reaction conditions. For exploring the possible applications as optoelectronic devices, the nonlinear optical (NLO) properties of all synthesized derivatives (3a-h) were investigated with the help of density functional theory (DFT) methods. The frontier molecular orbitals analysis and reactivity descriptors were investigated for exploring the reactivities.

引用

页数：11

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