PERHITUNGAN MEKANISME REAKSI ASETALISASI BENZALDEHIDA MENGGUNAKAN KATALIS ASAM (HCl) DENGAN METODE KOMPUTASI (AB-INITIO)

Sitepu, Deby Elfrinasti (2016) PERHITUNGAN MEKANISME REAKSI ASETALISASI BENZALDEHIDA MENGGUNAKAN KATALIS ASAM (HCl) DENGAN METODE KOMPUTASI (AB-INITIO). Undergraduate thesis, UNIMED.

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Abstract

Telah dilakukan penelitian tentang perhitungan mekanisme reaksi asetalisasi benzaldehida menggunakan katalis asam (HCl) dengan metode komputasi (Ab-Initio). Penelitian ini bertujuan untuk mengetahui energi tiap tahapan reaksi asetalisasi benzaldehida. Perhitungan mekanisme dilakukan menggunakan metode ab initio dari hyperchem versi 8.0 denngan basis set 3-21G dan 6-31G*. Hasil perhitungan energi tiap tahapan reaksi asetalisasi selalu mengalami perubahan. Tahap awal pembentukan Benzylideneoxonium memiliki selisih energi dengan benzadehid sebesar 468,2204 kJ/mol dan 517,5909 kJ/mol tahap terakhir pembentukan Benzaldehyde-dimethyl-acetal memiliki selisih energi dengan benzaldehida sebesar -51,9294 kJ/mol dan -6,8003 kJ/mol. Selisih energi tertinggi pada tahap pembentukan Methoxy-phenyl-methanol yaitu 1299,2017 kJ/mol dan 1399,6171 kJ/mol serta selisih energi terendah terjadi pada tahap Benzaldehyde-dimethyl-acetal

Item Type: Thesis (Undergraduate)
Contributors:
ContributionNameNIDN/NIDK
Thesis advisorYusuf, Muhammad198304112008011005
Call Number: SK-2016 KIM 190
Keywords: Asetalisasi; Benzaldehida;Komputasi; Ab Initio
Subjects: Q Science > QD Chemistry
Q Science > QD Chemistry > QD415 Biochemistry
Divisions: Fakultas Matematika dan Ilmu Pengetahuan Alam > Kimia
Depositing User: Mr Maknun
Date Deposited: 28 Oct 2016 09:25
URI: http://digilib.unimed.ac.id/id/eprint/20983

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