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22SCIENTIFIC PROGRESS VOLUME 3 I ISSUE 4 I 2022 _ISSN: 2181-1601
Scientific Journal Impact Factor (SJIF 2022=5.016) Passport: http://sjifactor.com/passport.php?id=22257
"M-TOLUIDINNING CHEMOFFICE" DASTURIDA OLINGAN SPEKTRAL
XARAKTERISTIKALARI TAHLILI
A. K. Abdushukurov D. A. O'roqova
O'zbekiston Milliy universiteti professori O'zbekiston Milliy universiteti magistranti
ANNOTATSIYA
1 1 ^
Ushbu izlanishimizda ChemOffice dasturi yordamida toluidinning H, C va IQ spektrlarini o'rganish natijalari keltirilgan.
Kalit so'z: ChemOffice dasturi, m-Toluidin, spektral xarakteristikalar, IQ spektr, YaMR 1 H, YaMR 13 C, Raman spektr.
Kirish
Hozirgi kungacha kimyo fani uchun komyuter dasturlarining bir qancha turlari yaratilgan bo'lib, ular haqidaki ma'lumotlar bu dasturlarni kimyo fanining turli yo'nalishlarida foydalanish mumkinligini bildiradi. Bunday dasturlardan biri bu ChemOfficedasturidir. Bu dastur dastlabki yaratilgan dasturlardan biri bo'lib, eng oddiy dasturlar sirasiga kiradi. Bu dastur yordamida modda tuzilishini bilishimiz mumkin. ChemOffice dasturi asosida organik va noorganik moddalarning tuzilishini chizish imkonini beradi. Shuningdek mazkur dastur modda tuzilishidan kelib chiqqan holda YaMR va PMR spektrlarini bilishimiz mumkin ChemOffice dasturi quyidagi tarkibiy qismlardan iborat: 1 ChemDraw; 2.Chem 3D; 3.ChemFinder. Olingan natijalar tahlili
M-toluidin moddasini IQ va YaMR spektrlarini olish uchun dastlab ChemOffice
dasturida yordamida 2D strukturasi chizib olinib, keyin spektrlari olindi. Bu dastur
1 1 ^
yordamida qisqa vaqt davomida spektr olishimiz mumkin. Quyida m-toluidinning H, C va IQ spektrlari keltirilgan. Biz bu natijalarni ChemDraw dasturida chizib olingan natijalar bilan solishtirib ko'ramiz.
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1-rasm. M-toluidinning tadqiqotlar davomida olingan YaMR- 1 H spektri keltirilgan Biz m-toluidinni amalda olingan 1H spektrlarini 1-rasm orqali ko'rdik. Bunda protonlarning chiqishi 2-7 m.u sohada kuzatilgan. ChemOffiice dasturi yordamida m-toluidinni 1H spektrlarini olinganida esa quyidagi natijalar olindi:
5 4 3
PPM
ChemNMR 1H Estimation
o nn HC NH?C oo
2.34 3 6.55 2 5.32
2-rasm. m- toluidin moddasini ChemDraw dasturida chizib olingan 1 H spektri Biz 1- va 2- rasmlarni solishtirganimizda 1H spektrlari deyarli bir xil ekanligini ko'rishimiz mumkin. Olingan natijalarga ko'ra CH3 radikaliga nisbatan orto holatda turgan H atomlari 6.59 m.u dublet 6.55 m.u singlet signal beradi. Meta holatdaki H
8
7
6
6.59
6.44
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atomlari 7.08 m.u triplet signal beradi. NH2 radikaliga nisbatan orto holatdaki H atomlari esa 6.44 m.u dublet NH2 guruhdaki H atomlari 5.32 m.u singlet, CH3 radikali tarkibidaki H atomlari esa 2.34 m.u singlet, signal beradi
1 -2
3-rasm. m-toluidinning C spektri tajriba asosida olingan spektri
1 ^
Endi biz M-toluidin moddasini ChemDraw dasturi yordamida chizib C
spektrlarini olamiz.
ChemNMR 13C Estimation
129.4
ido
i4G
i5)
sc
EC
4C
2C
1 -2
4-rasm. m-toluidin moddasining ChemDraw dasturida chizib olingan C spektri
1
M-toludinning ChemOffice dasturi yordamida C spektrlarini olganimizda quyidaki natijalarga ega bo'ldik. Unga ko'ra toluidinning CH3 radikali tarkibidaki C atomlari 21.3 m.u signal beradi. Benzol halqasi tarkibidaki 1-C atomi 139.2 m.u, 2-C
atomi 116.0 m.u, 3-C atomi 148.3 m.u, 4- C atomi 112.0 m.u, 5-C atomi 129.4 m.u
1
sohada signal beradi. C spektrida faqat C atomlari signalini ko'rishimiz mumkin. Molekulamiz tarkibidaki CH3 va NH2 guruhlarning aromatik halqaga nisbatan joylashishiga ko'ra C atomlari 7 ta signal berganini ko'rishimiz mumkin.
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IQ spektroskopiya tahlili
5-rasm. m-toluidin moddasining tajriba asosida olingan IQ spektri 3479-3393 sm-1 -NH2 guruhning valent tebranishlari; Spektrga qaraganimizda NH2 guruh 2 shoxli signal berganini ko'rishimiz mumkin. 3038-3016 sm-1 -aromatik halqadaki C-H guruhining valent tebranishlari; 2949-2922- sm-1 -alifatik CH3 guruhidaki C-H assimetrik valent (Vas ) tebranishlari; 2860- sm-1 -simmetrik valent (Vas ) tebranishlari; 1592-1536-1515-1494-1470 sm-1 -aromatik halqaning valent tebranishlari; 829-834-690-868 sm-1 -1,3 almashgan aromatik halqadaki C-H bog'ining valent tebranishlari; Endi biz m-toluidinning IQ spektrini ChemDraw dasturi yordamida chizib, tajribada olingan IQ spektri bilan solishtiramiz.
2000 1500
Wavenumbers
6-rasm. m-toluidinning ChemDraw dasturi yordamida olingan IQ spektri Olingan natijalarga ko'ra biz m-toluidin moddasining IQ spektirinini tajriba asosida olingan va biz ChemDraw dasturi orqali olingan natijalarimiz farq qilishini ko'rishimiz mumkin. Bunday farqlarni ham spektrda ham olingan hisobotda ko'rishimiz mumkin. 2938-2971-2984 sm -1 -alifatik CH3 —tarkibidagi C-H bog'larini valent tebranishlari; 3058-3069-3072 sm-1 -C-H (aromatik halqadaki CH) C-H bog'larining deformatsion assimmetrik tebranishlari; 1604-1617 sm-1- aromatik halqadaki C-C bog'larning deformatsion tebranishlari; 790-797-846-867 sm-1- meta-dialmashgan benzol halqasidagi deformatsion tebranishlari; 3292sm -1 -Aromatik halqaga birikkan
100
50
0
SCIENTIFIC PROGRESS VOLUME 3 I ISSUE 4 I 2022 _ISSN: 2181-1601
Scientific Journal Impact Factor (SJIF 2022—5.016) Passport: http://sjifactor.com/passport.php?id—22257
NH2 guruhning valent tebranishlari.Har bir funksional guruh o'ziga xos sohada singnal beradi.
Xulosa
1 1 ^
M-toluidinning amaliy tadqiqotlar davomida YaMR- H ,YaMR- C, IQ spektrlari
olingan.Bu dastur orqali oldindan moddalarni IQ va YaMR spektrlarini oldindan taxmin
1 1 ^
qilish imkoniyatini beradi. YaMR- H ,YaMR- C, IQ spektrlarining nazariy tarzda ChemOffice dasturi yordamida olingan
REFERENCES
1 Kh.S.Toshov, Khaitbayev Kh.A. ,Yuldashev Sh. I. Quantum-chemical study of geometric and energy characteristics of some bases of shiffgossipol. Progress in Chemical and Biochemical Research. 2019, №2, p.01-05.
2 Khaitbayev Kh.A., Yashinov A.Sh., Toshov H.S., Eshimbetov A.G. Structure and state of azomethine derivative gossypol with benzidine. Y3MY xaöapnapn. №3/1. 2014.h. 207-211 öeraap.
3 https://www.chemicalbook.com/SpectrumEN_108-44-1_1HNMR.htm
4 https://www.chemicalbook.com/SpectrumEN_696-44-6_13CNMR.htm
5 https://www.chemicalbook.com/SpectrumEN_95-53-4_IR2.htm
