Structural and Spectroscopic (FT-IR and NMR) Analyses on (E)-pent-2-enoic Acid

Nuri ÖZTÜRK; Halil GÖKCE

Makale detayları

Structural and Spectroscopic (FT-IR and NMR) Analyses on (E)-pent-2-enoic Acid

Yazarlar:

Nuri ÖZTÜRK | Halil GÖKCE

Yayıncı:

Kutbilge Akademisyenler Derneği

Ana Başlıklar:

Fizik

Dergi:

Bilge International Journal of Science and Technology Research 2017 Vol.1 Issue 1, pp.9-15

Belge Tipi:

Makale

Yayın Tarihi:

7/2017

Belge Dili:

İngilizce

Document ID (Org No.):

2000893259

Sıklık:

İki Yıllık

eISSN:

2651-4028

pISSN:

2651-401X

Özet:

 


Proton and
carbon-13 NMR chemical shifts and vibrational frequencies (FT-IR) of trans-2-pentenoic acid (2-pentenoic acid or (E)-pent-2-enoic acid) were
studied, both experimentally and theoretically. The optimized molecular geometric
parameters of monomer and dimer forms, vibrational frequencies and NMR chemical
shifts of the mentioned compound were computed by using DFT/B3LYP/6-311+G(2d,p)
level. The computed data were compared with experimental ones. The HOMO and
LUMO analyses were performed at the mentioned computational level.


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Makale detayları

Structural and Spectroscopic (FT-IR and NMR) Analyses on (E)-pent-2-enoic Acid

Yazarlar: Nuri ÖZTÜRK | Halil GÖKCE

Yayıncı: Kutbilge Akademisyenler Derneği

Ana Başlıklar: Fizik

Dergi: Bilge International Journal of Science and Technology Research 2017 Vol.1 Issue 1, pp.9-15

Belge Tipi: Makale

Yayın Tarihi: 7/2017

Belge Dili: İngilizce

Document ID (Org No.): 2000893259

Sıklık: İki Yıllık

eISSN: 2651-4028

pISSN: 2651-401X

Sayı

Yazarlar:

Nuri ÖZTÜRK | Halil GÖKCE

Yayıncı:

Kutbilge Akademisyenler Derneği

Ana Başlıklar:

Fizik

Dergi:

Bilge International Journal of Science and Technology Research 2017 Vol.1 Issue 1, pp.9-15

Belge Tipi:

Makale

Yayın Tarihi:

7/2017

Belge Dili:

İngilizce

Document ID (Org No.):

2000893259

Sıklık:

İki Yıllık

eISSN:

2651-4028

pISSN:

2651-401X