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Partial Fragmentation Cross-Section of 10 a Gevirons With Light Target Atoms of Ch2

Thesis Info

Author

Hira Mehboob

Supervisor

Shahid Manzoor

Department

Department of Physics

Program

RPH

Institute

COMSATS University Islamabad

Institute Type

Public

City

Islamabad

Province

Islamabad

Country

Pakistan

Thesis Completing Year

2015

Thesis Completion Status

Completed

Subject

Physics

Language

English

Added

2021-02-17 19:49:13

Modified

2023-01-06 19:20:37

ARI ID

1676720884921

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اُنؐ کا ہے پیغام آفاقی اور مخاطب سب انسان

اُن ؐ کا ہے پیغام آفاقی اور مخاطب سب انسان
یہ پیغام سکوں ہے دل کا اور دماغ کا اطمینان

جس کا جی چاہے آ بیٹھے ، رُوح و چشم کی بھوک مٹے
اُنؐ کی سخاوت افلاکی ہے ساری زمین ہے دستر خوان

اللہ اللہ کیسے تھے اصحابؓ کہ جب بھی ملتے تھے
اک دُوجے سے پوچھتے رہتے کیسا آپ کا ہے ایمان

جنگ میں بوڑھے ، عورتیں ، بچے ، کھیت تلک محفوظ رہیں
اپنے ماننے والوں کو تھا پیارے نبیؐ کا یہ فرمان

دھیان مدینے کا جب ہو تو رُوح بھی بھیگنے لگتی ہے
اک سرشاری چھا جاتی ہے ، جیسے اُترا ہو نروان

ربّ چاہے تو پھر حاضر ہوں روضۂ اقدس پر ہم بھی
لب پہ سلام کے نغمے ہوں اور ہاتھ میں نعتوں کا دیوان

نامِ خدا پر ملک بنا تھا ، نامِ خدا پر قائم ہے
گنبدِ خضرا دیکھ رہا ہے خاص نظر سے پاکستان

دور جدید میں میڈیا کی ضرورت و اہمیت اور حقیقت احوال

This article highlights the role of media in the contemporary world. Man since his birth had bestowed with quest to enfold the encompassing surroundings. In addition, due to his very nature, it is almost impossible for him to keep himself indifferent from environment. With the process of time, his primitive means of communication enhanced to the level that is playing a vital role in the current globalized social set up. Consequently, string of communication has been expended and manifested in print, electronic and social media. Media can play a very constructive, positive and meaningful role in accordance with the parameters laid down in Islam. But at the same time, it has a negative edge that can put human social set up in chaos and destruction. Current situation is that media specially western media is plaing a very undesirable role that is not only detrimental for the world as a whole, but specifically for the Muslim World. Greater responsibility lies on the shoulders of media to play his positive and apostolic role. In the article, the writer highlights the incredible role of media for establishment of interfaith harmony and peace in human society. He stresses that man is in nuclear era, the situation is very tense and little mis-happening can destroy the whole world.

Mechanistic Investigations of Zinc and Titanium Catalyzed Oxidation, Hydroamination, and Cycloaddition Reactions

The mechanism of the Zn(II) catalyzed oxidation of benzylic alcohol to benzaldehyde, ester and amide by three different oxidants (H2O2, TBHP, and CH3OOH) is investigated through density functional theory methods and compared with the similar oxidation mechanisms of other late transition metals. Inner sphere, intermediate sphere and outer sphere mechanisms have been analyzed. The effect of pyridine-2- carboxylic acid (ligand) and halides (Br2 and I2) is studied for benzaldehyde and ester formation reactions. Two new reactions are predicted such as oxidation of thiol to thioester and oxidation of benzylamine to benzaldimine and guanidine. The same set of calculations is repeated for newly predicted reactions as were performed for ester and amide formations. The inner sphere mechanism involving β-hydride elimination is found kinetically more demanding in all oxidation reactions. Ligand showed profound effect on rate of the reaction. In the presence of a ligand, intermediate sphere mechanism is found more plausible because of steric effect. In the absence of a ligand, the outer sphere mechanism is found more favorable. Mechanism of Zn(OTf)2 catalyzed hydroamination-hydrogenation of alkynes with amines is investigated through density functional theory methods. Both inner sphere and outer sphere mechanisms for nucleophilic attack of nitrogen on electrophilic alkyne centre to deliver imine have been investigated for the hydroamination reaction. Four different possibilities of hydrogen activation for the hydrogenation of imine to deliver amine have also been studied. These competitive reactions differ regarding the fate of proton and hydride generated from heterolytic cleavage of H2. The inner sphere mechanism is kinetically more demanding and is not believed to contribute significantly to the progress of the reaction under the experimental conditions. Outer sphere route for nucleophilic attack of non-coordinated amine on coordinated alkyne is found the most plausible. The overall energy barrier for outer sphere mechanism in amine adduct can also be surpassed under the reaction conditions, therefore this mechanism cannot be excluded safely. For hydrogenation reaction, heterolytic hydrogen cleavage involving proton shift on triflate ligand and hydride to metal is found most plausible over the competitive H2 cleavage reactions. The mechanism of TiCl4 mediated formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,3- dielectrophiles is also studied with B3LYP method of density functional theory (DFT) to rationalize the experimental regioselectivity. Methyl and trifluoromethyl substituted 1,3 dielectrophiles are studied theoretically since they show different regioselectivities. Four different mechanisms involving direct-direct, direct-conjugate, conjugate-direct and conjugate-conjugate addition of 1,3-bis(silyl enol ethers) on 1,3-dielectrophiles are studied for each dienophile. The intramolecular transition metal catalyzed and non-catalyzed dynamic shift of the silyl moiety are also studied. The structure of the 1,3 dienophile and the associated Mulliken charges are the driving forces for different regioselectivities in methyl and trifluoromethyl dienophiles.