About this Dataset

Supporting Data For "Selective Deuteration Along A Polyethylene Chain: Differentiating Conformation Segment By Segment"

Includes raw data used to generate the figures in the publication "Selective deuteration along a polyethylene chain: Differentiating conformation segment by segment" [https://doi.org/10.1021/acs.macromol.3c01560]. Data include NMR spectra, FTIR spectra, Raman spectra, SEC traces, and DSC traces of isotopically labeled polyethylene materials. Chemical structures of the samples are also included as .png image files and .mol chemical table files, which can be opened with most chemical structure editors. Non-proprietary file formats are included for all types of characterization. For DSC and NMR spectroscopy data, proprietary file formats are also included, requiring the use of TA Instrument Trios software and Bruker TopSpin software, respectively. Disclaimer: Certain commercial equipment, instruments, or materials are identified in this work to specify the experimental procedure adequately. Such identification is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose.
Organization: National Institute of Standards and Technology
Last updated: 2023-09-30T16:46:37.945995
Tags: deuteration, polyethylene, polyolefins, vibrational-spectroscopy

Tables

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 15/FTIR/ATR/ATR

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_0076f98c

128.66 kB
7,467 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_0076f98c (
  "n_4_001635e_002" DOUBLE  -- 4.001635e+002,
  "n__7_248595e_002" DOUBLE  -- -7.248595e-002
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 4/FTIR/Transmission/122 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_023d860e

498.6 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_023d860e (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_1_437977e_000" DOUBLE  -- 1.437977e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 10/FTIR/Transmission/64 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_051b151a

500.62 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_051b151a (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n__5_441703e_001" DOUBLE  -- -5.441703e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry S3/FTIR/Transmission/126 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_051b9d49

494.72 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_051b9d49 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_9_410056e_001" DOUBLE  -- 9.410056e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 5/FTIR/Transmission/122 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_05ebdbd0

498.34 kB
29,869 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_05ebdbd0 (
  "n_3_999224e_002" DOUBLE  -- 3.999224e+002,
  "n_0_000000e_000" DOUBLE  -- 0.000000e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 16/FTIR/Transmission/113 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_06ee1efc

500.78 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_06ee1efc (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_1_694145e_001" DOUBLE  -- 1.694145e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry S1/FTIR/Transmission/108 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_07485a6c

128.93 kB
7,468 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_07485a6c (
  "n_3_996813e_002" DOUBLE  -- 3.996813e+002,
  "n_0_000000e_000" DOUBLE  -- 0.000000e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry S4/FTIR/Transmission/113 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_0ab314a3

502.58 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_0ab314a3 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n__6_749811e_001" DOUBLE  -- -6.749811e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 14/FTIR/Transmission/122 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_0cea81ef

492.54 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_0cea81ef (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_8_292595e_002" DOUBLE  -- 8.292595e-002
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 8/FTIR/Transmission/126 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_0d2b6108

122.05 kB
7,270 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_0d2b6108 (
  "n_1_725283e_003" DOUBLE  -- 1.725283e+003,
  "n__9_434672e_003" DOUBLE  -- -9.434672e-003
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 11/FTIR/Transmission/131 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_0dd85a2d

497.56 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_0dd85a2d (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_7_671173e_001" DOUBLE  -- 7.671173e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 13/FTIR/Transmission/117 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_127d60ad

489.35 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_127d60ad (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_6_010680e_001" DOUBLE  -- 6.010680e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry S1/FTIR/Transmission/64 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_147ca09b

131.01 kB
7,468 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_147ca09b (
  "n_3_996813e_002" DOUBLE  -- 3.996813e+002,
  "n_0_000000e_000" DOUBLE  -- 0.000000e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 9/FTIR/Transmission/122 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_14cb3dae

500.72 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_14cb3dae (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_1_878999e_001" DOUBLE  -- 1.878999e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 2/FTIR/ATR/ATR

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1557fb2a

128.99 kB
7,467 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1557fb2a (
  "n_4_001635e_002" DOUBLE  -- 4.001635e+002,
  "n_2_879857e_002" DOUBLE  -- 2.879857e-002
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 16/FTIR/Transmission/135 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_190436e5

491.36 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_190436e5 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_2_627428e_002" DOUBLE  -- 2.627428e-002
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 13/FTIR/Transmission/122 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_195b4075

489.56 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_195b4075 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_1_163904e_000" DOUBLE  -- 1.163904e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 5/FTIR/Transmission/100 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_197e186c

502.38 kB
29,869 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_197e186c (
  "n_3_999224e_002" DOUBLE  -- 3.999224e+002,
  "n_0_000000e_000" DOUBLE  -- 0.000000e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 13/FTIR/Transmission/64 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1aed1ae1

503.04 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1aed1ae1 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_5_337732e_001" DOUBLE  -- 5.337732e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 10/FTIR/Transmission/100 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1b753c9e

499.4 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1b753c9e (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_6_000000e_000" DOUBLE  -- 6.000000e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 11/FTIR/Transmission/122 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1cb8c8e6

512.81 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1cb8c8e6 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n__6_266801e_003" DOUBLE  -- -6.266801e-003
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 16/FTIR/Transmission/131C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1d1e9bb5

491.46 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1d1e9bb5 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_6_092777e_001" DOUBLE  -- 6.092777e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 12/FTIR/Transmission/108 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1d5b46fd

502.03 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1d5b46fd (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_6_000000e_000" DOUBLE  -- 6.000000e+000
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 9/FTIR/Transmission/82 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1da24313

502.88 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1da24313 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_5_087192e_001" DOUBLE  -- 5.087192e-001
);

Supporting Data For Selective Deuteration Along A Polyethylene Chain Measuring Conformational Differences Segment By Segment/Entry 13/FTIR/Transmission/46 C

@usgov.national_institute_of_standard_supporting_for_selectiv_84e192a2.supporting_for_selective_deuteration_along_a_polyethyl_1f438821

502.18 kB
29,867 rows
2 columns

CREATE TABLE supporting_for_selective_deuteration_along_a_polyethyl_1f438821 (
  "n_4_000429e_002" DOUBLE  -- 4.000429e+002,
  "n_5_690720e_001" DOUBLE  -- 5.690720e-001
);